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Sample records for graphite interface studies

  1. Polymer matrix and graphite fiber interface study

    NASA Technical Reports Server (NTRS)

    Adams, D. F.; Zimmerman, R. S.; Odom, E. M.

    1985-01-01

    Hercules AS4 graphite fiber, unsized, or with EPON 828, PVA, or polysulfone sizing, was combined with three different polymer matrices. These included Hercules 3501-6 epoxy, Hercules 4001 bismaleimide, and Hexcel F155 rubber toughened epoxy. Unidirectional composites in all twelve combinations were fabricated and tested in transverse tension and axial compression. Quasi-isotropic laminates were tested in axial tension and compression, flexure, interlaminar shear, and tensile impact. All tests were conducted at both room temperature, dry and elevated temperature, and wet conditions. Single fiber pullout testing was also performed. Extensive scanning electron microphotographs of fracture surfaces are included, along with photographs of single fiber pullout failures. Analytical/experimental correlations are presented, based on the results of a finite element micromechanics analysis. Correlations between matrix type, fiber sizing, hygrothermal environment, and loading mode are presented. Results indicate that the various composite properties were only moderately influenced by the fiber sizings utilized.

  2. Chiral expression at the solid-liquid interface: a joint experimental and theoretical study of the self-assembly of chiral porphyrins on graphite.

    PubMed

    Linares, Mathieu; Iavicoli, Patrizia; Psychogyiopoulou, Krystallia; Beljonne, David; De Feyter, Steven; Amabilino, David B; Lazzaroni, Roberto

    2008-09-01

    The chiral organization of an enantiopure functional molecule on an achiral surface has been studied with the aim of understanding the influence of stereogenic centers on the self-assembly in two dimensions. A chiral tetra meso-amidophenyl-substituted porphyrin containing long hydrophobic tails at the periphery of the conjugated pi-electron system was prepared for this purpose. Scanning tunneling microscopy (STM) images of the compound at the graphite-heptanol interface reveal a chiral arrangement of the molecules, with the porphyrin rows tilted by 13 degrees with respect to the normal to the graphite axes. In terms of molecular modeling, a combination of molecular dynamics simulations on systems constrained by periodic boundary conditions and on unconstrained large molecular aggregates has been applied to reach a quantitative interpretation on both the density of the layer and its orientation with respect to the graphite surface. The results show clearly that (i) the methyl groups of the stereogenic point toward the graphite surface and (ii) the porphyrin molecules self-assemble into an interdigitated structure where the alkyl chains align along one of the graphite axes and the porphyrin cores are slightly shifted with respect to one another. The direction of this shift, which defines the chirality of the monolayer, is set by the chirality of the stereogenic centers. Such an arrangement results in the formation of a dense chiral monolayer that is further stabilized by hydrogen bonding with protic solvents.

  3. Electronic structure of interfaces between hexagonal and rhombohedral graphite

    NASA Astrophysics Data System (ADS)

    Taut, M.; Koepernik, K.

    2016-07-01

    An analysis of the electronic structure of interfaces between hexagonal (A B ) and rhombohedral (A B C ) graphite based on density functional theory is presented. Both of the two simplest interface structures host (localized) interface bands, which are located around the K point in the Brillouin zone, and which give rise to strong peaks in the density of states at the Fermi level. All interface bands near the Fermi energy are localized at monomers (single atoms with dangling pz orbitals), whereas those around 0.5 eV belong to pz-bonded trimers, which are introduced by the interface and which are not found in the two adjacent bulk substances. There is also an interface band at the (A B ) side of the interface which resembles one of the interface states near a stacking fault in (A B ) graphite.

  4. Oxidation Resistant Graphite Studies

    SciTech Connect

    W. Windes; R. Smith

    2014-07-01

    The Very High Temperature Reactor (VHTR) Graphite Research and Development Program is investigating doped nuclear graphite grades exhibiting oxidation resistance. During a oxygen ingress accident the oxidation rates of the high temperature graphite core region would be extremely high resulting in significant structural damage to the core. Reducing the oxidation rate of the graphite core material would reduce the structural effects and keep the core integrity intact during any air-ingress accident. Oxidation testing of graphite doped with oxidation resistant material is being conducted to determine the extent of oxidation rate reduction. Nuclear grade graphite doped with varying levels of Boron-Carbide (B4C) was oxidized in air at nominal 740°C at 10/90% (air/He) and 100% air. The oxidation rates of the boronated and unboronated graphite grade were compared. With increasing boron-carbide content (up to 6 vol%) the oxidation rate was observed to have a 20 fold reduction from unboronated graphite. Visual inspection and uniformity of oxidation across the surface of the specimens were conducted. Future work to determine the remaining mechanical strength as well as graphite grades with SiC doped material are discussed.

  5. Molecular-level understanding of the adsorption mechanism of a graphite-binding peptide at the water/graphite interface.

    PubMed

    Penna, M J; Mijajlovic, M; Tamerler, C; Biggs, M J

    2015-07-14

    The association of proteins and peptides with inorganic material has vast technological potential. An understanding of the adsorption of peptides at liquid/solid interfaces on a molecular-level is fundamental to fully realising this potential. Combining our prior work along with the statistical analysis of 100+ molecular dynamics simulations of adsorption of an experimentally identified graphite binding peptide, GrBP5, at the water/graphite interface has been used here to propose a model for the adsorption of a peptide at a liquid/solid interface. This bottom-up model splits the adsorption process into three reversible phases: biased diffusion, anchoring and lockdown. Statistical analysis highlighted the distinct roles played by regions of the peptide studied here throughout the adsorption process: the hydrophobic domain plays a significant role in the biased diffusion and anchoring phases suggesting that the initial impetus for association between the peptide and the interface may be hydrophobic in origin; aromatic residues dominate the interaction between the peptide and the surface in the adsorbed state and the polar region in the middle of the peptide affords a high conformational flexibility allowing strongly interacting residues to maximise favourable interactions with the surface. Reversible adsorption was observed here, unlike in our prior work focused on a more strongly interacting surface. However, this reversibility is unlikely to be seen once the peptide-surface interaction exceeds 10 kcal mol(-1).

  6. Mechanical and dielectric properties of SEBS modified by graphite inclusion and composite interface

    NASA Astrophysics Data System (ADS)

    Grigorescu, Ramona Marina; Ciuprina, Florin; Ghioca, Paul; Ghiurea, Marius; Iancu, Lorena; Spurcaciu, Bogdan; Panaitescu, Denis Mihaela

    2016-02-01

    Tough and flexible dielectrics were prepared using graphite (G), a natural and low-cost resource, as filler in polystyrene-b-(ethylene-co-butylene)-b-polystyrene (SEBS) and maleinized SEBS (SEBS-MA) matrices. The disintegration of graphite in submicron particles was accomplished by the shear forces during the melt processing step and it was highlighted by atomic force microscopy. Simultaneous increase of tensile strain, strength and Young's modulus was noticed for SEBS/G and SEBS-MA/G composites compared to unfilled matrices, this remarkable feature being previously reported only for some nanocomposites. Moreover, an exponential variation of the dielectric permittivity with the volume fraction of G was obtained. Higher reinforcing efficiency and better dielectric properties were observed in SEBS-MA/G composites, compared to the corresponding SEBS/G composites, due to the stronger polymer-filler interface and better dispersion of graphite. This study brings new insights into nanolevel properties of SEBS composites and it opens new perspectives on high performance composites by using graphite instead of expensive graphene and efficient melt mixing process.

  7. Prediction and measurement of thermal transport across interfaces between isotropic solids and graphitic materials.

    SciTech Connect

    Norris, Pamela M.; Smoyer, Justin L.; Duda, John Charles.; Hopkins, Patrick E.

    2010-06-01

    Due to the high intrinsic thermal conductivity of carbon allotropes, there have been many attempts to incorporate such structures into existing thermal abatement technologies. In particular, carbon nanotubes (CNTs) and graphitic materials (i.e., graphite and graphene flakes or stacks) have garnered much interest due to the combination of both their thermal and mechanical properties. However, the introduction of these carbon-based nanostructures into thermal abatement technologies greatly increases the number of interfaces per unit length within the resulting composite systems. Consequently, thermal transport in these systems is governed as much by the interfaces between the constituent materials as it is by the materials themselves. This paper reports the behavior of phononic thermal transport across interfaces between isotropic thin films and graphite substrates. Elastic and inelastic diffusive transport models are formulated to aid in the prediction of conductance at a metal-graphite interface. The temperature dependence of the thermal conductance at Au-graphite interfaces is measured via transient thermoreflectance from 78 to 400 K. It is found that different substrate surface preparations prior to thin film deposition have a significant effect on the conductance of the interface between film and substrate.

  8. First approximations of phonon thermal transport at solid-graphite interfaces.

    SciTech Connect

    Hopkins, Patrick E.; Norris, Pamela M.; Beechem, Thomas Edwin, Iii; Smoyer, Justin L.; Duda, John C.

    2010-04-01

    This model predicts thermal boundary conductance at interfaces where one material comprising the junction is characterized by high elastic anisotropy (i.e, graphite). The thermal properties of graphite are determined through a simplified vibrational model, where the bulk structure is treated as an linear assembly of two-dimensional systems. This model is validated at temperatures above cryogenic through comparison to experimentally determined values of specific heat. Elastic processes are accounted for through traditional diffuse transport theory. Inelastic contributions due to multi-phonon processes are also addressed and quantified.

  9. TEM Study of Internal Crystals in Supernova Graphites

    NASA Astrophysics Data System (ADS)

    Croat, T. K.; Bernatowicz, T.; Stadermann, F. J.; Messenger, S.; Amari, S.

    2003-03-01

    A coordinated TEM and isotopic study of ten supernova (SN) graphites from the Murchison meteorite has revealed many internal grains, mostly titanium carbides (TiCs) and TiC-kamacite composite grains, which were accreted during the graphite growth.

  10. Reaction layer formation at the graphite/copper-chromium alloy interface

    NASA Technical Reports Server (NTRS)

    Devincent, Sandra M.; Michal, Gary M.

    1993-01-01

    Sessile drop tests were used to obtain information about copper chromium alloys that suitably wet graphite. Characterization of graphite/copper-chromium alloy interfaces subjected to elevated temperatures were conducted using scanning electron micrography, energy dispersive spectroscopy, Auger electron spectroscopy, and X-ray diffraction analyses. These analyses indicate that during sessile drop tests conducted at 1130 C for one hour, copper alloys containing greater than 0.98 percent chromium form continuous reaction layers of approximately 10 micron thickness. The reaction layers adhere to the graphite surface. The copper wets the reaction layer to form a contact angle of 60 degrees or less. X-ray diffraction results indicate that the reaction layer is chromium carbide. The kinetics of reaction layer formation were modelled in terms of bulk diffusion mechanisms. Reaction layer thickness is controlled initially by the diffusion of Cr out of Cu alloy and later by the diffusion of C through chromium carbide.

  11. Reaction layer formation at the graphite/copper-chromium alloy interface

    NASA Technical Reports Server (NTRS)

    Devincent, Sandra M.; Michal, Gary M.

    1992-01-01

    Sessile drop tests were used to obtain information about copper chromium alloys that suitably wet graphite. Characterization of graphite/copper-chromium alloy interfaces subjected to elevated temperatures were conducted using scanning electron micrography, energy dispersive spectroscopy, auger electron spectroscopy, and x ray diffraction analyses. These analyses indicate that during sessile drop tests conducted at 1130 C for one hour, copper alloys containing greater than 0.98 percent chromium form continuous reaction layers of approximately 10 micron thickness. The reaction layers adhere to the graphite surface. The copper wets the reaction layer to form a contact angle of 60 degrees or less. X ray diffraction results indicate that the reaction layer is chromium carbide. The kinetics of reaction layer formation were modelled in terms of bulk diffusion mechanisms. Reaction layer thickness is controlled initially by the diffusion of Cr out of Cu alloy and later by the diffusion of C through chromium carbide.

  12. Adhesion at the interface in cured graphite fiber epoxy-amine resin composites

    NASA Technical Reports Server (NTRS)

    Needles, Howard L.; Alger, Kenneth W.; Okamoto, Robert

    1987-01-01

    The effect of high temperature curing on the interface between unsized or epoxy-sized graphite fiber tow and epoxy-amine resin was examined by scanning electron microscopy of compression and freeze fractured specimens. Little or no adhesion was found between the unsized graphite fiber tows and the epoxy-amine resin on curing at 165 C for 17 hrs. Epoxy-sized graphite fibers showed a similar lack of adhesion between the fiber tows and the epoxy-amine resin at 3 and 17 hr cures, although good penetration of the resin into the sized fiber tows had occurred. Interfacial bond strengths for the composites could not be effectively measured by compression fracture of specimens.

  13. Development of graphite/copper composites utilizing engineered interfaces. M.S. Thesis Final Report

    NASA Technical Reports Server (NTRS)

    Devincent, Sandra M.

    1991-01-01

    In situ measurements of graphite/copper alloy contact angles were made using the sessile drop method. The interfacial energy values obtained from these measurements were then applied to a model for the fiber matrix interfacial debonding phenomenon found in graphite/copper composites. The formation obtained from the sessile drop tests led to the development of a copper alloy that suitably wets graphite. Characterization of graphite/copper alloy interfaces subjected to elevated temperatures was conducted using Scanning Electron Microscopy, Energy Dispersive Spectroscopy, Auger Electron Spectroscopy, and X Ray Diffraction analyses. These analyses indicated that during sessile drop tests conducted at 1130 C for 1 hour, copper alloys containing greater than 0.98 at pct chromium form continuous reaction layers of approx. 10 microns in thickness. The reaction layers are adherent to the graphite surface. The copper wets the reaction layer to form a contact angle of 60 deg or less. X ray diffraction results indicate that the reaction layer is Cr3C2.

  14. VACUUM ULTRAVIOLET PHOTON-STIMULATED OXIDATION OF BURIED ICE: GRAPHITE GRAIN INTERFACES

    SciTech Connect

    Shi, J.; Grieves, G. A.; Orlando, T. M.

    2015-05-01

    The vacuum ultraviolet (VUV) synthesis of CO and CO{sub 2} on ice-coated graphite and isotopic labeled {sup 13}C graphite has been examined for temperatures between 40 and 120 K. The results show that CO and CO{sub 2} can be formed at the buried ice:graphite interface with Lyα photon irradiation via the reaction of radicals (O and OH) produced by direct photodissociation and the dissociative electron attachment of the interfacial water molecules. The synthesized CO and CO{sub 2} molecules can desorb in hot photon-dominated regions and are lost to space when ice coated carbonaceous dust grains cycle within the protoplanetary disks. Thus, the nonthermal formation of CO and CO{sub 2} at the buried ice:grain interface by VUV photons may help regulate the carbon inventory during the early stage of planet formation. This may contribute to the carbon deficits in our solar system and suggests that a universal carbon deficit gradient may be expected within astrophysical bodies surrounding center stars.

  15. Anisotropic Thermal and Electrical Properties of Thin Thermal Interface Layers of Graphite Nanoplatelet-Based Composites

    PubMed Central

    Tian, Xiaojuan; Itkis, Mikhail E.; Bekyarova, Elena B.; Haddon, Robert C.

    2013-01-01

    Thermal interface materials (TIMs) are crucial components of high density electronics and the high thermal conductivity of graphite makes this material an attractive candidate for such applications. We report an investigation of the in-plane and through-plane electrical and thermal conductivities of thin thermal interface layers of graphite nanoplatelet (GNP) based composites. The in-plane electrical conductivity exceeds its through-plane counterpart by three orders of magnitude, whereas the ratio of the thermal conductivities is about 5. Scanning electron microscopy reveals that the anisotropy in the transport properties is due to the in-plane alignment of the GNPs which occurs during the formation of the thermal interface layer. Because the alignment in the thermal interface layer suppresses the through-plane component of the thermal conductivity, the anisotropy strongly degrades the performance of GNP-based composites in the geometry required for typical thermal management applications and must be taken into account in the development of GNP-based TIMs.

  16. Water as a lubricant for graphite: a computer simulation study.

    PubMed

    Pertsin, Alexander; Grunze, Michael

    2006-09-21

    The phase state and shear behavior of water confined between parallel graphite sheets are studied using the grand canonical Monte Carlo technique and TIP4P model for water. In describing the water-graphite interaction, two orientation-dependent potentials are tried. Both potentials are fitted to many-body polarizable model predictions for the binding energy and the equilibrium conformation of the water-graphite complex [K. Karapetian and K. D. Jordan in Water in Confining Geometries, edited by V. Buch and J. P. Devlin (Springer, Berlin, 2003), pp. 139-150]. Based on the simulation results, the property of water to serve as a lubricant between the rubbing surfaces of graphitic particles is associated, first, with the capillary condensation of water occurring in graphitic pores of monolayer width and, second, with the fact that the water monolayer compressed between graphite particles retains a liquidlike structure and offers only slight resistance to shear.

  17. Theoretical study of aluminum-ceramic interfaces

    NASA Astrophysics Data System (ADS)

    Ooi, Newton Eng Kin

    2005-12-01

    Aluminum is one of the most widely used metals by man. Its low cost, low density, corrosion resistance, high ductility and other properties make it applicable in vehicles, buildings, food containers, and other uses. However, it has poor surface properties and its softness allows it to wear and abrade easily. It adheres to most metals and its low melting point makes it susceptible to friction welding through localized melting. Many Al forming and machining processes such as drilling, rolling, casting, and extrusion require the use of either coatings or lubricants to prevent Al from sticking to the tools. This dissertation examines the adhesion between Al and three materials typically used as coatings or lubricants: graphite, hexagonal boron nitride (h-BN), and cubic boron nitride (c-BN). Atomic scale calculations using the Hohenberg-Kohn-Sham formulism of density functional theory were performed to examine the atomic and electronic structure, and the work of separation between interfaces of Al and each of the three materials listed above. The simulations performed are explained in detail, along with the reasons behind each one. Minimal adhesion on the order of 0.11 J/m2 was found for the Al (111)-graphite (0001) interface. Adhesion was slightly higher, 0.14--0.16 J/m2, at the Al (111)-h-BN (0001) interface. This slight increase was due to attraction of B and N atoms in the BN (0001) to Al atoms on the opposing surface. Results for both interfaces suggest that either graphite or h-BN would be useful as lubricants for reducing Al adhesion to other materials. The Al (110)-c-BN (110) had a work of separation of 2.25 J/m2, much higher than the adhesion at the Al-graphite and Al-h-BN interfaces. This high adhesion argues against the use of c-BN as a tool coating for reducing adhesion of Al during aluminum machining. To complement these quantum mechanical calculations, a simple thermodynamic study was carried out to determine the reaction enthalpies between specific metal

  18. Study of high resistance inorganic coatings on graphite fibers. [for graphite-epoxy composite materials

    NASA Technical Reports Server (NTRS)

    Galasso, F. S.; Veltri, R. D.; Scola, D. A.

    1979-01-01

    Coatings made of boron, silicon carbide, silica, and silica-like materials were studied to determine their ability to increase resistance of graphite fibers. The most promising results were attained by chemical vapor depositing silicon carbide on graphite fiber followed by oxidation, and drawing graphite fiber through ethyl silicate followed by appropriate heat treatments. In the silicon carbide coating studies, no degradation of the graphite fibers was observed and resistance values as high as three orders of magnitude higher than that of the uncoated fiber was attained. The strength of a composite fabricated from the coated fiber had a strength which compared favorably with those of composites prepared from uncoated fiber. For the silica-like coated fiber prepared by drawing the graphite fiber through an ethyl silicate solution followed by heating, coated fiber resistances about an order of magnitude greater than that of the uncoated fiber were attained. Composites prepared using these fibers had flexural strengths comparable with those prepared using uncoated fibers, but the shear strengths were lower.

  19. Low-energy electron diffraction study of potassium adsorbed on single-crystal graphite and highly oriented pyrolytic graphite

    SciTech Connect

    Ferralis, N.; Diehl, R.D.; Pussi, K.; Lindroos, M.; Finberg, S.E.; Smerdon, J.; McGrath, R.

    2004-12-15

    Potassium adsorption on graphite has been a model system for the understanding of the interaction of alkali metals with surfaces. The geometries of the (2x2) structure of potassium on both single-crystal graphite (SCG) and highly oriented pyrolytic graphite (HOPG) were investigated for various preparation conditions for graphite temperatures between 55 and 140 K. In all cases, the geometry was found to consist of K atoms in the hollow sites on top of the surface. The K-graphite average perpendicular spacing is 2.79{+-}0.03 A , corresponding to an average C-K distance of 3.13{+-}0.03 A , and the spacing between graphite planes is consistent with the bulk spacing of 3.35 A. No evidence was observed for a sublayer of potassium. The results of dynamical LEED studies for the clean SCG and HOPG surfaces indicate that the surface structures of both are consistent with the truncated bulk structure of graphite.

  20. Dynamics of porphyrin adsorption on highly oriented pyrolytic graphite monitored by scanning tunnelling microscopy at the liquid/solid interface

    NASA Astrophysics Data System (ADS)

    Ferreira, Q.; Bragança, A. M.; Moura, N. M. M.; Faustino, M. A. F.; Alcácer, L.; Morgado, J.

    2013-05-01

    Scanning tunnelling microscopy (STM) at solid/tetradecane interface is used to study the dynamics of zinc(II)-octaethylporphyrin (ZnOEP) and zinc(II)-meso-tetradodecylporphyrin (ZnTDP) adsorption on the surface of highly oriented pyrolytic graphite (HOPG). ZnOEP exhibits a polymorphic behaviour, with a first metastable phase remaining for the first 2 h. This initial α-phase is then converted into a β-phase, where all porphyrins lie parallel to the substrate with a hexagonal arrangement, in agreement with previous reports. At variance with this behaviour, no metastable phases are found during ZnTDP adsorption under the same conditions. We consider that this different behaviour is due to the combination of a stronger interaction and lower mobility of ZnTDP on the HOPG surface.

  1. Nickel-Graphite Composite Compliant Interface and/or Hot Shoe Material

    NASA Technical Reports Server (NTRS)

    Firdosy, Samad A.; Chun-Yip Li, Billy; Ravi, Vilupanur A.; Fleurial, Jean-Pierre; Caillat, Thierry; Anjunyan, Harut

    2013-01-01

    Next-generation high-temperature thermoelectric-power-generating devices will employ segmented architectures and will have to reliably withstand thermally induced mechanical stresses produced during component fabrication, device assembly, and operation. Thermoelectric materials have typically poor mechanical strength, exhibit brittle behavior, and possess a wide range of coefficient of thermal expansion (CTE) values. As a result, the direct bonding at elevated temperatures of these materials to each other to produce segmented leg components is difficult, and often results in localized microcracking at interfaces and mec hanical failure due to the stresses that arise from the CTE mismatch between the various materials. Even in the absence of full mechanical failure, degraded interfaces can lead to increased electrical and thermal resistances, which adversely impact conversion efficiency and power output. The proposed solution is the insertion of a mechanically compliant layer, with high electrical and thermal conductivity, between the low- and high-temperature segments to relieve thermomechanical stresses during device fabrication and operation. This composite material can be used as a stress-relieving layer between the thermoelectric segments and/or between a thermoelectric segment and a hot- or cold-side interconnect material. The material also can be used as a compliant hot shoe. Nickel-coated graphite powders were hot-pressed to form a nickel-graphite composite material. A freestanding thermoelectric segmented leg was fabricated by brazing the compliant pad layer between the high-temperature p- Zintl and low-temperature p-SKD TE segments using Cu-Ag braze foils. The segmented leg stack was heated in vacuum under a compressive load to achieve bonding. The novelty of the innovation is the use of composite material that re duces the thermomechanical stresses en - countered in the construction of high-efficiency, high-temperature therm - o-electric devices. The

  2. Efficient simulations of the aqueous bio-interface of graphitic nanostructures with a polarisable model

    NASA Astrophysics Data System (ADS)

    Hughes, Zak E.; Tomásio, Susana M.; Walsh, Tiffany R.

    2014-04-01

    To fully harness the enormous potential offered by interfaces between graphitic nanostructures and biomolecules, detailed connections between adsorbed conformations and adsorption behaviour are needed. To elucidate these links, a key approach, in partnership with experimental techniques, is molecular simulation. For this, a force-field (FF) that can appropriately capture the relevant physics and chemistry of these complex bio-interfaces, while allowing extensive conformational sampling, and also supporting inter-operability with known biological FFs, is a pivotal requirement. Here, we present and apply such a force-field, GRAPPA, designed to work with the CHARMM FF. GRAPPA is an efficiently implemented polarisable force-field, informed by extensive plane-wave DFT calculations using the revPBE-vdW-DF functional. GRAPPA adequately recovers the spatial and orientational structuring of the aqueous interface of graphene and carbon nanotubes, compared with more sophisticated approaches. We apply GRAPPA to determine the free energy of adsorption for a range of amino acids, identifying Trp, Tyr and Arg to have the strongest binding affinity and Asp to be a weak binder. The GRAPPA FF can be readily incorporated into mainstream simulation packages, and will enable large-scale polarisable biointerfacial simulations at graphitic interfaces, that will aid the development of biomolecule-mediated, solution-based graphene processing and self-assembly strategies.To fully harness the enormous potential offered by interfaces between graphitic nanostructures and biomolecules, detailed connections between adsorbed conformations and adsorption behaviour are needed. To elucidate these links, a key approach, in partnership with experimental techniques, is molecular simulation. For this, a force-field (FF) that can appropriately capture the relevant physics and chemistry of these complex bio-interfaces, while allowing extensive conformational sampling, and also supporting inter

  3. Molecular dynamics simulation of the electrochemical interface between a graphite surface and the ionic liquid [BMIM][PF6].

    PubMed

    Kislenko, Sergey A; Samoylov, Igor S; Amirov, Ravil H

    2009-07-21

    The structure of the electrical double layer in the ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]) near a basal plane of graphite was investigated by molecular dynamics simulation. The calculations were performed both for an uncharged graphite surface and for positively and negatively charged ones. It is found that near an uncharged surface the ionic liquid structure differs from its bulk structure and represents a well-ordered region, extending over approximately 20 A from the surface. Three dense layers of ca 5 A thick are clearly observed at the interface, composed of negative ions and positively charged rings. It is established that in the first adsorption layer the imidazolium ring in the [BMIM]+ cation tends to be arranged in parallel to the graphite surface at a distance of 3.5 A. The [PF6]- anion is oriented in such a way that the phosphorus atom is at a distance of 4.1 A from the surface and triplets of fluorine atoms form two planes parallel to the graphite surface. Ions adsorbed at the uncharged surface are arranged in a highly defective 2D hexagonal lattice and the corresponding lattice spacing is approximately four times larger than that of the graphene substrate. The influence of the electrode potential on the distribution of electrolyte ions and their orientation has also been investigated. Increase in the electrode potential induces broadening of the angle distribution of adsorbed rings and a shift of the most probable tilt angle towards bigger values. It was shown that there are no adsorbed anions on the negatively charged surface (sigma = -8.2 microC cm(-2)), but the surface concentration of adsorbed cations on the positively charged surface (sigma = +8.2 microC cm(-2)) has a nonzero value. In addition, the influence of the surface charge (+/- sigma) on the volume charge density and electric potential profiles in an electrolyte was studied. The differences in the cation and anion structure result in the fact that the

  4. Role of counterion condensation in the self-assembly of SDS surfactants at the water-graphite interface.

    PubMed

    Tummala, Naga Rajesh; Striolo, Alberto

    2008-02-21

    The aggregate structure of sodium dodecyl sulfate (SDS) adsorbed at the graphite-water interface has been studied with the aid of molecular dynamics (MD) simulations. As expected, our results show that adsorbed SDS yields hemi-cylindrical micelles. The hemi-cylindrical aggregates in our simulations closely resemble all structural and morphological details provided by previous solution atomic force microscopy (AFM) experiments. More interestingly, our data indicate that SDS head groups do not provide a complete shield to the hydrophobic tails. Instead, we found regions in which the hydrophobic tails are exposed to the aqueous solution. By conducting a parametric study for SDS-like nonionic surfactants we show that electrostatic interactions between SDS head groups and counterions are responsible for the unexpected result. Our interpretation is corroborated by density profiles, analysis of the coordination states, and mean square displacement data for both the adsorbed SDS surfactants and the counterions in solution. Counterion condensation appears to be a physical phenomenon that could be exploited to direct the assembly of advanced nanostructured materials.

  5. A molecular-dynamics simulation study of diffusion of a single model carbonic chain on a graphite (001) surface.

    PubMed

    Yang, Hua; Lu, Zhong-Yuan; Li, Ze-Sheng; Sun, Chia-Chung

    2006-03-01

    Molecular-dynamics simulations have been used to study the diffusion of a short single model carbonic chain on the graphite (001) surface. The calculated diffusion coefficient (D) first increases, then decreases with increasing chain length (N). This abnormal behavior is similar to polymer lateral diffusion at the solid-liquid interface. Furthermore, we have studied the relation between the mean-square gyration radius and N. [Figure: see text].

  6. 3-Dimensional atomic scale structure of the ionic liquid-graphite interface elucidated by AM-AFM and quantum chemical simulations.

    PubMed

    Page, Alister J; Elbourne, Aaron; Stefanovic, Ryan; Addicoat, Matthew A; Warr, Gregory G; Voïtchovsky, Kislon; Atkin, Rob

    2014-07-21

    In situ amplitude modulated atomic force microscopy (AM-AFM) and quantum chemical simulations are used to resolve the structure of the highly ordered pyrolytic graphite (HOPG)-bulk propylammonium nitrate (PAN) interface with resolution comparable with that achieved for frozen ionic liquid (IL) monolayers using STM. This is the first time that (a) molecular resolution images of bulk IL-solid interfaces have been achieved, (b) the lateral structure of the IL graphite interface has been imaged for any IL, (c) AM-AFM has elucidated molecular level structure immersed in a viscous liquid and (d) it has been demonstrated that the IL structure at solid surfaces is a consequence of both thermodynamic and kinetic effects. The lateral structure of the PAN-graphite interface is highly ordered and consists of remarkably well-defined domains of a rhomboidal superstructure composed of propylammonium cations preferentially aligned along two of the three directions in the underlying graphite lattice. The nanostructure is primarily determined by the cation. Van der Waals interactions between the propylammonium chains and the surface mean that the cation is enriched in the surface layer, and is much less mobile than the anion. The presence of a heterogeneous lateral structure at an ionic liquid-solid interface has wide ranging ramifications for ionic liquid applications, including lubrication, capacitive charge storage and electrodeposition.

  7. Application of Hybrid Fillers for Improving the Through-Plane Heat Transport in Graphite Nanoplatelet-Based Thermal Interface Layers

    PubMed Central

    Tian, Xiaojuan; Itkis, Mikhail E.; Haddon, Robert C.

    2015-01-01

    The in-plane alignment of graphite nanoplatelets (GNPs) in thin thermal interface material (TIM) layers suppresses the though-plane heat transport thus limiting the performance of GNPs in the geometry normally required for thermal management applications. Here we report a disruption of the GNP in-plane alignment by addition of spherical microparticles. The degree of GNP alignment was monitored by measurement of the anisotropy of electrical conductivity which is extremely sensitive to the orientation of high aspect ratio filler particles. Scanning Electron Microscopy images of TIM layer cross-sections confirmed the suppression of the in-plane alignment. The hybrid filler formulations reported herein resulted in a synergistic enhancement of the through-plane thermal conductivity of GNP/Al2O3 and GNP/Al filled TIM layers confirming that the control of GNP alignment is an important parameter in the development of highly efficient GNP and graphene-based TIMs. PMID:26279183

  8. Photoemission studies of fluorine functionalized porous graphitic carbon

    NASA Astrophysics Data System (ADS)

    Ganegoda, Hasitha; Jensen, David S.; Olive, Daniel; Cheng, Lidens; Segre, Carlo U.; Linford, Matthew R.; Terry, Jeff

    2012-03-01

    Porous graphitic carbon (PGC) has unique properties desirable for liquid chromatography applications when used as a stationary phase. The polar retention effect on graphite (PREG) allows efficient separation of polar and non-polar solutes. Perfluorinated hydrocarbons however lack polarizabilty and display strong lipo- and hydrophobicity, hence common lipophilic and hydrophilic analytes have low partition coefficiency in fluorinated stationary phases. Attractive interaction between fluorinated stationary phase and fluorinated analytes results in strong retention compared to non-fluorinated analytes. In order to change the selectivities of PGC, it is necessary to develop a bonded PGC stationary phase. In this study, we have synthesized perfluorinated, PGC using hepatadecafluoro-1-iodooctane, under different temperature conditions. Surface functionalization of the raw material was studied using photoelectron spectroscopy (PES). Results indicate the existence of fluorine containing functional groups, -CF, -CF2 along with an intercalated electron donor species. Multiple oxygen functional groups were also observed, likely due to the presence of oxygen in the starting material. These oxygen species may be responsible for significant modifications to planer and tetrahedral carbon ratios.

  9. Photoemission studies of fluorine functionalized porous graphitic carbon

    SciTech Connect

    Ganegoda, Hasitha; Olive, Daniel; Cheng, Lidens; Segre, Carlo U.; Terry, Jeff; Jensen, David S.; Linford, Matthew R.

    2012-03-01

    Porous graphitic carbon (PGC) has unique properties desirable for liquid chromatography applications when used as a stationary phase. The polar retention effect on graphite (PREG) allows efficient separation of polar and non-polar solutes. Perfluorinated hydrocarbons however lack polarizabilty and display strong lipo- and hydrophobicity, hence common lipophilic and hydrophilic analytes have low partition coefficiency in fluorinated stationary phases. Attractive interaction between fluorinated stationary phase and fluorinated analytes results in strong retention compared to non-fluorinated analytes. In order to change the selectivities of PGC, it is necessary to develop a bonded PGC stationary phase. In this study, we have synthesized perfluorinated, PGC using hepatadecafluoro-1-iodooctane, under different temperature conditions. Surface functionalization of the raw material was studied using photoelectron spectroscopy (PES). Results indicate the existence of fluorine containing functional groups, -CF, -CF{sub 2} along with an intercalated electron donor species. Multiple oxygen functional groups were also observed, likely due to the presence of oxygen in the starting material. These oxygen species may be responsible for significant modifications to planer and tetrahedral carbon ratios.

  10. Interaction of boron with graphite: A van der Waals density functional study

    NASA Astrophysics Data System (ADS)

    Liu, Juan; Wang, Chen; Liang, Tongxiang; Lai, Wensheng

    2016-08-01

    Boron doping has been widely investigated to improve oxidation resistance of graphite. In this work the interaction of boron with graphite is investigated by a van der Waals density-functional approach (vdW-DF). The traditional density-functional theory (DFT) is well accounted for the binding in boron-substituted graphite. However, to investigate the boron atom on graphite surface and the interstitial impurities require use of a description of graphite interlayer binding. Traditional DFT cannot describe the vdW physics, for instance, GGA calculations show no relevant binding between graphite sheets. LDA shows some binding, but they fail to provide an accurate account of vdW forces. In this paper, we compare the calculation results of graphite lattice constant and cohesive energy by several functionals, it shows that vdW-DF such as two optimized functionals optB88-vdW and optB86b-vdW give much improved results than traditional DFT. The vdW-DF approach is then applied to study the interaction of boron with graphite. Boron adsorption, substitution, and intercalation are discussed in terms of structural parameters and electronic structures. When adsorbing on graphite surface, boron behaves as π electron acceptor. The π electron approaches boron atom because of more electropositive of boron than carbon. For substitution situation, the hole introduced by boron mainly concentrates on boron and the nearest three carbon atoms. The B-doped graphite system with the hole has less ability to offer electrons to oxygen, ultimately resulted in the inhibition of carbon oxidation. For interstitial doping, vdW-DFs show more accurate formation energy than LDA. PBE functional cannot describe the interstitial boron in graphite reasonably because of the ignoring binding of graphite sheets. The investigation of electron structures of boron doped graphite will play an important role in understanding the oxidation mechanism in further study.

  11. Interfacing myoglobin to graphite electrode with an electrodeposited nanoporous ZnO film.

    PubMed

    Zhao, Ge; Xu, Jing-Juan; Chen, Hong-Yuan

    2006-03-01

    A biocompatible, nanoporous ZnO film was prepared on graphite electrode by the simple electrodeposition method. Based on the film's strong adsorption ability and friendly microenvironment, it can be used as a good matrix to immobilize myoglobin (Mb) through simple adsorption. Moreover, the entrapped Mb realized direct electron transfer with the electrode and displayed an elegant catalytic activity toward the reduction of hydrogen peroxide, nitrite, and trichloroacetic acid, by which the mediator-free biosensors could be fabricated. Atomic force microscopy, UV-Vis spectra, electrochemical impedance spectroscopy, and cyclic voltammetry, etc. were used to characterize the nanoporous ZnO film and Mb-modified ZnO film. Compared to other methods, electrodeposition of porous material supplied a more simple and convenient approach to prepare biocompatible materials for biosensors.

  12. Heat Dissipation Interfaces Based on Vertically Aligned Diamond/Graphite Nanoplatelets.

    PubMed

    Santos, N F; Holz, T; Santos, T; Fernandes, A J S; Vasconcelos, T L; Gouvea, C P; Archanjo, B S; Achete, C A; Silva, R F; Costa, F M

    2015-11-11

    Crystalline carbon-based materials are intrinsically chemically inert and good heat conductors, allowing their applications in a great variety of devices. A technological step forward in heat dissipators production can be given by tailoring the carbon phase microstructure, tuning the CVD synthesis conditions. In this work, a rapid bottom-up synthesis of vertically aligned hybrid material comprising diamond thin platelets covered by a crystalline graphite layer was developed. A single run was designed in order to produce a high aspect ratio nanostructured carbon material favoring the thermal dissipation under convection-governed conditions. The produced material was characterized by multiwavelength Raman spectroscopy and electron microscopy (scanning and transmission), and the macroscopic heat flux was evaluated. The results obtained confirm the enhancement of heat dissipation rate in the developed hybrid structures, when compared to smooth nanocrystalline diamond films.

  13. Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression.

    PubMed

    Mundy, Christopher J; Curioni, Alessandro; Goldman, Nir; Will Kuo, I-F; Reed, Evan J; Fried, Laurence E; Ianuzzi, Marcella

    2008-05-14

    We report herein ab initio molecular dynamics simulations of graphite under shock compression in conjunction with the multiscale shock technique. Our simulations reveal that a novel short-lived layered diamond intermediate is formed within a few hundred of femtoseconds upon shock loading at a shock velocity of 12 kms (longitudinal stress>130 GPa), followed by formation of cubic diamond. The layered diamond state differs from the experimentally observed hexagonal diamond intermediate found at lower pressures and previous hydrostatic calculations in that a rapid buckling of the graphitic planes produces a mixture of hexagonal and cubic diamond (layered diamond). Direct calculation of the x-ray absorption spectra in our simulations reveals that the electronic structure of the final state closely resembles that of compressed cubic diamond. PMID:18532830

  14. Ultrafast transformation of graphite to diamond: an ab initio study of graphite under shock compression.

    PubMed

    Mundy, Christopher J; Curioni, Alessandro; Goldman, Nir; Will Kuo, I-F; Reed, Evan J; Fried, Laurence E; Ianuzzi, Marcella

    2008-05-14

    We report herein ab initio molecular dynamics simulations of graphite under shock compression in conjunction with the multiscale shock technique. Our simulations reveal that a novel short-lived layered diamond intermediate is formed within a few hundred of femtoseconds upon shock loading at a shock velocity of 12 kms (longitudinal stress>130 GPa), followed by formation of cubic diamond. The layered diamond state differs from the experimentally observed hexagonal diamond intermediate found at lower pressures and previous hydrostatic calculations in that a rapid buckling of the graphitic planes produces a mixture of hexagonal and cubic diamond (layered diamond). Direct calculation of the x-ray absorption spectra in our simulations reveals that the electronic structure of the final state closely resembles that of compressed cubic diamond.

  15. Selection process for trade study: Graphite Composite Primary Structure (GCPS)

    NASA Technical Reports Server (NTRS)

    Greenberg, H. S.

    1994-01-01

    This TA 2 document describes the selection process that will be used to identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 degree inclination. The most suitable unpressurized graphite composite structures and material selections is within this configuration and will be the prototype design for subsequent design and analysis and the basis for the design and fabrication of payload bay, wing, and thrust structure full scale test articles representing segments of the prototype structures. The selection process for this TA 2 trade study is the same as that for the TA 1 trade study. As the trade study progresses additional insight may result in modifications to the selection criteria within this process. Such modifications will result in an update of this document as appropriate.

  16. Carbon/graphite composite material study. Appendix C: NASA studies on modification of carbon/graphite fibers and alternative materials

    NASA Technical Reports Server (NTRS)

    1981-01-01

    The feasibility of modifying resin matrix composites to reduce the potential of electrical shorting from fire released fiber was explored. The effort included modifications to or coatings for graphite fibers, alternative fibers, modifications to matrix materials, and hybrid composites. The objectives included reduction of the conductivity of the graphite fiber, char formation to reduce fiber release, glass formation to prevent fiber release, catalysis to assure fiber consumption in a fire, and replacement of the graphite fibers with nonconductive fibers of similar mechanical potential.

  17. Brazing graphite to graphite

    DOEpatents

    Peterson, George R.

    1976-01-01

    Graphite is joined to graphite by employing both fine molybdenum powder as the brazing material and an annealing step that together produce a virtually metal-free joint exhibiting properties similar to those found in the parent graphite. Molybdenum powder is placed between the faying surfaces of two graphite parts and melted to form molybdenum carbide. The joint area is thereafter subjected to an annealing operation which diffuses the carbide away from the joint and into the graphite parts. Graphite dissolved by the dispersed molybdenum carbide precipitates into the joint area, replacing the molybdenum carbide to provide a joint of virtually graphite.

  18. Theoretical study of the porosity and temperature effects on the shock response of graphitic materials

    NASA Astrophysics Data System (ADS)

    Bourasseau, Emeric; Pineau, Nicolas; Hebert, David; Soulard, Laurent

    2015-06-01

    The response of graphite, and graphite-like materials, to shock compression have been the subject of numerous experimental studies over a few decades, showing a substantial dependence of the shock properties (Hugoniot curves, transition to diamond, ...) on the initial porosity and granularity of the polycrystalline samples. Theoretical studies of these processes have been enabled only recently, thanks to the development of computationally efficient empirical potentials such as LCBOPII which reproduce accurately the various phases of carbon (graphene, graphite, diamond, liquid carbon) and the few available ab initio data for shock compression of graphite. These studies are restricted to monocrystalline samples which, in the case of graphite, represent a serious approximation to the actual experimental set-ups and may explain the large over-estimation of the graphite/diamond transition pressure (~ 60 GPa vs. 15-25 GPa). In this paper we present a theoretical study on the shock compression of porous graphite by means of Molecular Dynamics and Monte Carlo simulations using the LCBOPII potential. The results are compared to the available experimental data and the role of porosity and temperature on the shock properties and graphite/diamond transition is discussed.

  19. Overall evaluation study for isotropic graphite as fusion first wall material in japan

    NASA Astrophysics Data System (ADS)

    Yamashina, Toshiro; Hino, Tomoaki

    1989-04-01

    Isotropie graphite has been widely used as first wall material in present large fusion devices. For isotropic graphites with different properties, however, overall evaluations with respect to vacuum engineering properties, thermal-mechanical properties and interations with plasmas have not been performed systematically. In 1986, under the support of the Ministry of Education, Science and Culture, the "Graphite Project Team" was organized. Fifteen institutions participated in this project and eighteen isotropic graphites supplied from seven graphite manufactures of Japan were studied as "common samples". From each company, both high- and low-density graphites were supplied since it was presumed that the vacuum engineering and thermal-mechanical properties depended on the density. During an approximately two years research period, we have obtained several interesting results on surface roughness, gas desorption, hydrogen permeation, failure due to heat load and fracture toughness. It was found that the vacuum engineering properties such as the surface area, the gas desorption and the hydrogen permeation depended significanly on the pore structure of the graphite. The surface area increased with the bulk density and the hydrogen permeation rate decreased with the bulk density. The gas desorption was very small for the graphite baked in vacuum. Treated in the same way, the amount of gas released from low-density graphite was smaller. The ash content of the graphite could be reduced to ppm levels by halogen gas treatment. The heat load experiments showed that most of the graphites failed at roughly the same heat load. The measured value of the fracture toughness was approximately the same. The change of the surface morphology by hydrogen ion irradiation and the desorption of trapped ions are also discussed.

  20. Graphitic carbon in the Allende meteorite: a microstructural study

    SciTech Connect

    Smith, P.P.K.; Buseck, P.R.

    1981-04-17

    High-resolution transmission electron microscopy shows that carbon in the Allende carbonaceous chondrite meteorite is predominantly a poorly crystalline graphite. Such material is of interest as an important carrier of the isotopically anomalous noble gases found in carbonaceous chondrites.

  1. Graphitic carbon in the Allende meteorite: a microstructural study.

    PubMed

    Smith, P P; Buseck, P R

    1981-04-17

    High-resolution transmission electron microscopy, shows that carbon in the Allende carbonaceous chondrite meteorite is predominantly a poorly crystalline graphite. Such material is of interest as an important carrier of the isotopically anomalous noble gases found in carbonaceous chondrites.

  2. Studying disorder in graphite-based systems by Raman spectroscopy.

    PubMed

    Pimenta, M A; Dresselhaus, G; Dresselhaus, M S; Cançado, L G; Jorio, A; Saito, R

    2007-03-21

    Raman spectroscopy has historically played an important role in the structural characterization of graphitic materials, in particular providing valuable information about defects, stacking of the graphene layers and the finite sizes of the crystallites parallel and perpendicular to the hexagonal axis. Here we review the defect-induced Raman spectra of graphitic materials from both experimental and theoretical standpoints and we present recent Raman results on nanographites and graphenes. The disorder-induced D and D' Raman features, as well as the G'-band (the overtone of the D-band which is always observed in defect-free samples), are discussed in terms of the double-resonance (DR) Raman process, involving phonons within the interior of the 1st Brillouin zone of graphite and defects. In this review, experimental results for the D, D' and G' bands obtained with different laser lines, and in samples with different crystallite sizes and different types of defects are presented and discussed. We also present recent advances that made possible the development of Raman scattering as a tool for very accurate structural analysis of nano-graphite, with the establishment of an empirical formula for the in- and out-of-plane crystalline size and even fancier Raman-based information, such as for the atomic structure at graphite edges, and the identification of single versus multi-graphene layers. Once established, this knowledge provides a powerful machinery to understand newer forms of sp(2) carbon materials, such as the recently developed pitch-based graphitic foams. Results for the calculated Raman intensity of the disorder-induced D-band in graphitic materials as a function of both the excitation laser energy (E(laser)) and the in-plane size (L(a)) of nano-graphites are presented and compared with experimental results. The status of this research area is assessed, and opportunities for future work are identified.

  3. Graphite pseudomorphs after diamonds: An experimental study of graphite morphology and the role of H2O in the graphitisation process

    NASA Astrophysics Data System (ADS)

    Korsakov, Andrey V.; Zhimulev, Egor I.; Mikhailenko, Denis S.; Demin, Sergey P.; Kozmenko, Olga A.

    2015-11-01

    Experiments at 1 atmosphere and 2.0-2.5 GPa over a range of temperatures of 1400-2100 °C have been carried out to investigate the diamond-to-graphite transformation in "dry" and "wet" systems. Internal and external morphologies of graphite pseudomorphs after diamonds were studied by Raman spectroscopy, reflected light microscopy and scanning electron microscopy. In a "dry" system, the results show that at 2.0-2.5 GPa, graphite pseudomorphs preserve the finest details of external morphology of original diamond crystals, whereas at 1 atmosphere only the general outline of diamond crystals can be recognised on these pseudomorphs. In all experimental runs at P = 2.0-2.5 GPa under various temperatures, the growth of oriented graphite crystallites was observed only on the {111} diamond faces, while randomly oriented graphite crystals were observed on the {100} and especially {110} diamond faces. In a "wet" system, we were unable to reproduce graphite pseudomorphs after diamond. However, newly formed large graphite crystals were found on the partly dissolved diamonds. The diamond crystal form has been changed from that of a sharp octahedron to octahedron having rounded edges and corners. Flat-bottomed negatively oriented trigons were formed on the octahedral {111} faces. Large graphite crystals tend to be concentrated at {100} and {110} surfaces. Rare single euhedral graphite flakes occur on the {111} faces. Visible growth spirals on {001} faces of graphite crystals appear on all crystals. The {111} faces of diamond crystal are partly covered by translucent graphite coat. The diamond-to-graphite transformation in the "wet" system occurs via coupled dissolution-precipitation processes. All morphological features (e.g., negatively oriented trigons, rounded edges) described for partly dissolved diamonds are easily recognised. None of these features have been detected so far for partly graphitised metamorphic diamond crystals. Our results suggest that in geological

  4. Positron annihilation studies of moisture in graphite-reinforced composites

    NASA Technical Reports Server (NTRS)

    Singh, J. J.; Holt, W. H.; Mock, W., Jr.; Buckingham, R. D.

    1980-01-01

    The positron lifetime technique of monitoring absorbed moisture is applied to several composites, including graphite/polymides which are candidates for high-temperature (over 260 C) applications. The experimental setup is a conventional fast-slow coincidence system wherein the positron lifetime is measured with respect to a reference time determined by the detection of a nuclear gamma ray emitted simultaneously with the positron. From the experiments, a rate of change of positron mean lifetime per unit mass of water can be determined for each type of specimen. Positron lifetime spectra are presented for a graphite/polyimide composite and for a pure polyimide.

  5. Thermal charging study of compressed expanded natural graphite/phase change material composites

    DOE PAGES

    Mallow, Anne; Abdelaziz, Omar; Graham, Jr., Samuel

    2016-08-12

    The thermal charging performance of paraffin wax combined with compressed expanded natural graphite foam was studied for different graphite bulk densities. Constant heat fluxes between 0.39 W/cm2 and 1.55 W/cm2 were applied, as well as a constant boundary temperature of 60 °C. Thermal charging experiments indicate that, in the design of thermal batteries, thermal conductivity of the composite alone is an insufficient metric to determine the influence of the graphite foam on the thermal energy storage. By dividing the latent heat of the composite by the time to end of melt for each applied boundary condition, the energy storage performancemore » was calculated to show the effects of composite thermal conductivity, graphite bulk density, and latent heat capacity. For the experimental volume, the addition of graphite beyond a graphite bulk density of 100 kg/m3 showed limited benefit on the energy storage performance due to the decrease in latent heat storage capacity. These experimental results are used to validate a numerical model to predict the time to melt and for future use in the design of heat exchangers with graphite-foam based phase change material composites. As a result, size scale effects are explored parametrically with the validated model.« less

  6. First-principles study of Se-intercalated graphite

    SciTech Connect

    BARTKOWIAK,M.; MODINE,NORMAND A.; SOFO,J.O.; MAHAN,G.D.

    2000-05-11

    Se-intercalated graphite compounds (Se-GICs) are considered as promising candidates for room-temperature thermoelectric cooling devices. Here the authors analyze the crystallographic structure and electronic properties of these materials within the framework of density-functional theory. First, the Adaptive-Coordinate Real-space Electronic Structure (ACRES) code is used to determine the stable structure of a representative stage-2 Se-GIC by relaxing atomic positions. The stable configuration is found to be a pendant-type structure, in which each selenium is bonded covalently to two atoms within the same carbon layer, causing a local distortion of the in-plane conjugation of the graphite. Then, they use the full potential linearized augmented plane wave (FP-LAPW) method to calculate the electronic band structure of the material and discuss its properties. Near the Fermi energy E{sub F}, there are wide bands originating from the host graphitic electronic structure and a few very narrow bands mainly of Se 4p character. The latter bands contribute to high peaks in the density of states close to E{sub F}. They show that this feature, although typical of many good thermoelectrics, does not necessarily imply high thermopower in the case of Se-GICs.

  7. Effect of graphite properties in thermal analysis of CHTR: A parametric study

    SciTech Connect

    Kaushik, Ankur; Basak, Abhishek; Dulera, I. V.; Vijayan, P. K.

    2013-06-12

    Compact High Temperature Reactor (CHTR) is a {sup 233}U-Thorium fuelled, lead-bismuth cooled reactor. The CHTR core mainly consists of graphite and beryllium oxide (BeO). The CHTR core consists of nineteen prismatic beryllium oxide (BeO) moderator blocks. These 19 blocks contain centrally located graphite fuel tubes. The BeO moderator blocks are surrounded by reflector blocks (partially graphite and partially BeO). The nuclear heat from the core is removed passively by natural circulation of the coolant between top and bottom plenums, upward through the fuel tubes and returning through the downcomer tubes at the periphery. The temperature gradient in fuel tubes, downcomer tubes and BeO is very high and therefore, to take care of the differential thermal expansion, gaps are provided in the core between the tubes and other core components. These gaps affect the heat transfer through the core in radial direction. In addition, there is a large variation in thermal properties of graphite which in turn affects the thermal behaviour of the core in various operating conditions. The fuel of CHTR is TRISO coated particle fuel. These particles are packed in with graphite powder as matrix and made into cylindrical compacts these compacts are packed in the bores of fuel tube. In this study, the effect of the thermal conductivity variation of the graphite on the temperature distribution of the core and density variation of the matrix graphite material in fuel compact on the maximum fuel kernel temperature is studied along with the overall role of graphite properties variation in heat transfer.

  8. Effect of graphite properties in thermal analysis of CHTR: A parametric study

    NASA Astrophysics Data System (ADS)

    Kaushik, Ankur; Basak, Abhishek; Dulera, I. V.; Vijayan, P. K.

    2013-06-01

    Compact High Temperature Reactor (CHTR) is a 233U-Thorium fuelled, lead-bismuth cooled reactor. The CHTR core mainly consists of graphite and beryllium oxide (BeO). The CHTR core consists of nineteen prismatic beryllium oxide (BeO) moderator blocks. These 19 blocks contain centrally located graphite fuel tubes. The BeO moderator blocks are surrounded by reflector blocks (partially graphite and partially BeO). The nuclear heat from the core is removed passively by natural circulation of the coolant between top and bottom plenums, upward through the fuel tubes and returning through the downcomer tubes at the periphery. The temperature gradient in fuel tubes, downcomer tubes and BeO is very high and therefore, to take care of the differential thermal expansion, gaps are provided in the core between the tubes and other core components. These gaps affect the heat transfer through the core in radial direction. In addition, there is a large variation in thermal properties of graphite which in turn affects the thermal behaviour of the core in various operating conditions. The fuel of CHTR is TRISO coated particle fuel. These particles are packed in with graphite powder as matrix and made into cylindrical compacts these compacts are packed in the bores of fuel tube. In this study, the effect of the thermal conductivity variation of the graphite on the temperature distribution of the core and density variation of the matrix graphite material in fuel compact on the maximum fuel kernel temperature is studied along with the overall role of graphite properties variation in heat transfer.

  9. Parametric study of graphite foam fins and application in heat exchangers

    NASA Astrophysics Data System (ADS)

    Collins, Michael

    This thesis focuses on the simulation and experimental studies of finned graphite foam extended surfaces to test their heat transfer characteristics and potential applications in condensers. Different fin designs were developed to conduct a parametric study on the thermal effectiveness with respect to thickness, spacing and fin offset angle. Each fin design was computationally simulated to estimate the heat transfer under specific conditions. The simulations showed that this optimal fin configuration could conduct more than 297% the amount of thermal energy as compared to straight aluminum fins. Graphite foam fins were then implemented into a simulation of the condenser system. The condenser was simulated with six different orientations of baffles to examine the incoming vapor and resulting two-phase flow patterns. The simulations showed that using both horizontal and vertical baffling provided the configuration with the highest heat transfer and minimized the bypass regions where the vapor would circumvent the graphite foam. This baffle configuration increased the amount of vapor flow through the inner graphite fins and cold water pipes, which gave this configuration the highest heat transfer. The results from experimental tests using the condenser system confirmed that using three baffles will increase performance consistent with the simulation results. The experimental data showed that the condenser using graphite foam had five times the heat transfer compared to the condenser using only aluminum fins. Incorporating baffles into the condenser using graphite foam enabled this system to conduct nearly ten times more heat transfer than the condenser system which only had aluminum fins without baffles. The results from this research indicate that graphite foam is a far superior material heat transfer enhancement material for heat transfer compared to aluminum used as an extended surface. The longitudinal and horizontal baffles incorporated into the condenser system

  10. Nonlinear optical studies of polymer interfaces

    SciTech Connect

    Shen, Y.R. |

    1993-11-01

    Second-order nonlinear optical processes can be used as effective surface probes. They can provide some unique opportunities for studies of polymer interfaces. Here the author describes two examples to illustrate the potential of the techniques. One is on the formation of metal/polymer interfaces. The other is on the alignment of liquid crystal films by mechanically rubbed polymer surfaces.

  11. High-pressure neutron-scattering studies of graphite and stage-two graphite-SbCl/sub 5/

    SciTech Connect

    Alzyab, B.; Perry, C.H.; Zahopoulos, C.; Pringle, O.A.; Nicklow, R.M.

    1988-07-15

    The longitudinal-acoustic (LA) phonons propagating along the c axis in highly oriented pyrolytic graphite (HOPG) were investigated as a function of pressure up to 20 kbar using inelastic-neutron-scattering techniques. The phonon frequencies varied as ..nu..(P,q) = A(P)sin(c(P)q/2), where A(P) and c(P) indicate the pressure dependences of the zone-center LO frequency of B/sub 1//sub g//sub >1/ symmetry and of the c-axis lattice spacing, respectively. From the measurements, the mode Grueneisen parameter for the LA branch was estimated to be 1.5 x 10/sup -2/ kbar/sup -1/ (independent of q); the elastic constant C/sub 33/ for HOPG was found to be 3.40 x 10/sup 11/ dyn/cm/sup 2/ at 1 bar with a pressure coefficient of (1/C/sub 33/)(dC/sub 33//dP) = 2.91 x 10/sup -2/ kbar/sup -1/. The measured c-axis spacings were 6.71 and 12.72 A for HOPG and stage-2 SbCl/sub 5/-intercalated graphite, respectively, at atmospheric pressure; the corresponding compressibilities (1/c)(dc/dP) were -2.24 x 10/sup -3/ kbar/sup -1/ (HOPG) and -2.28 x 10/sup -3/ kbar/sup -1/ (SbCl/sub 5/). Elastic-neutron-scattering studies up to 20 kbar were undertaken to search for stage transformations, but no evidence of any phase transition was observed.

  12. High temperature ceramic interface study

    NASA Technical Reports Server (NTRS)

    Lindberg, L. J.

    1984-01-01

    Monolithic SiC and Si3N4 are susceptible to contact stress damage at static and sliding interfaces. Transformation-toughened zirconia (TTZ) was evaluated under sliding contact conditions to determine if the higher material fracture toughness would reduce the susceptibility to contact stress damage. Contact stress tests were conducted on four commercially available TTZ materials at normal loads ranging from 0.455 to 22.7 kg (1 to 50 pounds) at temperatures ranging from room temperature to 1204C (2200 F). Static and dynamic friction were measured as a function of temperature. Flexural strength measurements after these tests determined that the contact stress exposure did not reduce the strength of TTZ at contact loads of 0.455, 4.55, and 11.3 kg (1, 10, and 25 pounds). Prior testing with the lower toughness SiC and Si3N4 materials resulted in a substantial strength reduction at loads of only 4.55 and 11.3 kg (10 and 25 pounds). An increase in material toughness appears to improve ceramic material resistance to contact stress damage. Baseline material flexure strength was established and the stress rupture capability of TTZ was evaluated. Stress rupture tests determined that TTZ materials are susceptible to deformation due to creep and that aging of TTZ materials at elevated temperatures results in a reduction of material strength.

  13. Thermal Charging Study of Compressed Expanded Natural Graphite/Phase Change Material Composites

    SciTech Connect

    Mallow, Anne M; Abdelaziz, Omar; Graham, Samuel

    2016-01-01

    The thermal charging performance of phase change materials, specifically paraffin wax, combined with compressed expanded natural graphite foam is studied under constant heat flux and constant temperature conditions. By varying the heat flux between 0.39 W/cm2 and 1.55 W/cm2 or maintaining a boundary temperature of 60 C for four graphite foam bulk densities, the impact on the rate of thermal energy storage is discussed. Thermal charging experiments indicate that thermal conductivity of the composite is an insufficient metric to compare the influence of graphite foam on the rate of thermal energy storage of the PCM composite. By dividing the latent heat of the composite by the time to melt for various boundary conditions and graphite foam bulk densities, it is determined that bulk density selection is dependent on the applied boundary condition. A greater bulk density is advantageous for samples exposed to a constant temperature near the melting temperature as compared to constant heat flux conditions where a lower bulk density is adequate. Furthermore, the anisotropic nature of graphite foam bulk densities greater than 50 kg/m3 is shown to have an insignificant impact on the rate of thermal charging. These experimental results are used to validate a computational model for future use in the design of thermal batteries for waste heat recovery.

  14. Collision-induced light scattering in a thin xenon layer between graphite slabs - MD study.

    PubMed

    Dawid, A; Górny, K; Wojcieszyk, D; Dendzik, Z; Gburski, Z

    2014-08-14

    The collision-induced light scattering many-body correlation functions and their spectra in thin xenon layer located between two parallel graphite slabs have been investigated by molecular dynamics computer simulations. The results have been obtained at three different distances (densities) between graphite slabs. Our simulations show the increased intensity of the interaction-induced light scattering spectra at low frequencies for xenon atoms in confined space, in comparison to the bulk xenon sample. Moreover, we show substantial dependence of the interaction-induced light scattering correlation functions of xenon on the distances between graphite slabs. The dynamics of xenon atoms in a confined space was also investigated by calculating the mean square displacement functions and related diffusion coefficients. The structural property of confined xenon layer was studied by calculating the density profile, perpendicular to the graphite slabs. Building of a fluid phase of xenon in the innermost part of the slot was observed. The nonlinear dependence of xenon diffusion coefficient on the separation distance between graphite slabs has been found.

  15. Bound and free self-interstitial defects in graphite and bilayer graphene: A computational study

    SciTech Connect

    Gulans, Andris; Puska, Martti J.; Nieminen, Risto M.

    2011-07-01

    The role of self-interstitials in the response of layered carbon materials such as graphite, bilayer graphene and multiwalled carbon nanotubes to irradiation has long remained a puzzle. Using density-functional-theory methods with an exchange and correlation functional which takes into account the interlayer van der Waals interaction in these systems without any material-specific empirical parameters, we study the energetics and migration of single- and di-interstitials in graphite and bilayer graphene. We show that two classes of interstitials, ''bound'' and ''free,'' can coexist. The latter are mobile at room and lower temperatures, which explains the experimental data and reconciles them with the results of atomistic simulations. Our results shed light on the behavior of graphite and carbon nanotubes under irradiation and have implications for irradiation-mediated processing of bilayer graphene.

  16. A micrographic and gravimetric study of intercalation and deintercalation of graphite fibers

    NASA Technical Reports Server (NTRS)

    Hung, C. C.

    1985-01-01

    Intercalation and deintercalation of Union Carbide P-100 graphite fibers with liquid and vaporous bromine was studied gravimetrically and microscopically. The mass of the bromine intercalated fibers was found to be 17 to 20 percent greater than their pristine counterpart. This variation decreased to 17 to 18 percent after heating in air for 3 days at 200 C and to 14.5 to 18 percent after 6 days of 260 C heating. The fiber length did not change throughout the experiment. The fiber diameter increased during intercalation and decreased slightly upon deintercalation but was not affected by heating to 260 C for 3 days in air. Comparing the mass and volume data to those with highly oriented pyrolitic graphite or natural single crystal graphite suggested the possibility that the intercalated P-100 fibers could be mostly stage 4.

  17. Electrical and mechanical properties of C70 fullerene and graphite under high pressures studied using designer diamond anvils.

    PubMed

    Patterson, J R; Catledge, S A; Vohra, Y K; Akella, J; Weir, S T

    2000-12-18

    We compare electrical and mechanical properties of C70 fullerene with high purity graphite to 48 GPa at room temperature using designer diamond anvils with embedded electrical microprobes. The electrical resistance of C70 shows a minimum at 20 GPa with transformation to an amorphous insulating phase complete above 35 GPa, while graphite remains conducting. Nanoindentation shows hardness values 220 times larger for the pressure quenched amorphous phase than for similarly treated graphite. Our studies establish that the amorphous carbon phase produced from C70 has unique properties not attainable from graphite.

  18. A study of highly oriented pyrolytic graphite as a model for the graphite anode in Li-ion batteries

    SciTech Connect

    Bar-Tow, D.; Peled, E.; Burstein, L.

    1999-03-01

    The mechanisms of oxidation of the basal plane and of the cross-sectional face of highly oriented pyrolytic graphite (HOPG) and the formation of a solid electrolyte interphase (SEI) on HOPG samples that were cycled in ethylene carbonate:diethyl carbonate (EC:DEC 1:2) solutions containing 1 M LiAsF{sub 6} were studied. X-ray photoelectron spectroscopy, energy dispersive spectrometry, and scanning electron microscope techniques were used for the analysis of the surface layer formed on the basal plane and cross section of HOPG. The analysis indicates that the oxidation mechanisms of the basal plane and the cross section are entirely different. The SEI formed in the LiAsF{sub 6} solution is thinner on the basal plane than on the cross section and its composition is different. The SEI formed on the cross section is rich in inorganic compounds whereas the SEI formed on the basal plane is rich in organic compounds. Thus it can be concluded that on the basal plane, the greatest contribution to SEI formation is solvent reduction (EC and DEC), whereas on the cross-sectional face, it is electrolyte salt (LiAsF{sub 6}) reduction.

  19. NMR studies of molecules in liquid crystals and graphite

    SciTech Connect

    Rosen, M.E.

    1992-06-01

    NMR experiments to measure proton dipole couplings were performed on a series of n-alkanes (n-hexane through n-decane) dissolved in nematic liquid crystals. Computer modeling of the experimental NMR-spectra was done using several different models for intermolecular interactions in these systems. The model of Photinos et al. was found to be best in describing the intermolecular interactions in these systems and can provide a statistical picture of the conformation and orientation of the alkane molecules in their partially-oriented environment. Order parameters and conformational distributions for the alkanes can be calculated from the modeling. The alkanes are found to have conformational distributions very much like those found in liquid alkanes. Proton NMR spectra of tetrahydrofuran (THF) intercalated in two graphite intercalation compounds were also measured. Computer simulations of these spectra provide a picture of THF in the constrained environment between the graphene layers where the THF is oriented at a particular angle, can translate and rotate freely, but does not appear to pseudorotate.

  20. Solar thermochemical process interface study

    NASA Technical Reports Server (NTRS)

    1984-01-01

    The design and analyses of a subsystem of a hydrogen production process are described. The process is based on solar driven thermochemical reactions. The subject subsystem receives sulfuric acid of 60% concentration at 100 C, 1 atm pressure. The acid is further concentrated, vaporized, and decomposed (at a rate of 122 g moles/sec H2SO4) into SO2, O2, and water. The produce stream is cooled to 100 C. Three subsystem options, each being driven by direct solar energy, were designed and analyzed. The results are compared with a prior study case in which solar energy was provided indirectly through a helium loop.

  1. Tape/head interface study

    NASA Technical Reports Server (NTRS)

    1983-01-01

    Existing high energy tapes, high track density heads, and transport guidance techniques were evaluated and characterized to enable these technologies to be employed in future spacecraft recorders with high confidence. The results of these study efforts demonstrated tracking accuracy tape and head density that will support spacecraft recorders with data rates of a minimum of 150 Mbps and storage capacities ranging from 10 to the 10th to 10 to the 11th bits. Seven high energy tapes of either .25 in width, 1.00 in width, or both, were tested. All tapes were tested at the same speed (30 ips) and the same packing density (33 KBI). The performance of all 1 in tapes was considered superior.

  2. Transmission Electron Microscopy Study of Graphite under in situ Ion Irradiation

    NASA Astrophysics Data System (ADS)

    Hinks, J. A.; Jones, A. N.; Theodosiou, A.; van den Berg, J. A.; Donnelly, S. E.

    2012-07-01

    Graphite is employed as a moderator and structural component in 18 of the UK's fleet of Magnox and Advanced Gas-cooled Reactors (AGRs). During the operational lifetime of a reactor, graphite undergoes complex physical and mechanical property changes including dimensional modification, owing to the effects of temperature, oxidation and irradiation-induced atomic displacements. In order to safely extend the lifetime of the current fleet of AGRs, and also to develop materials for GenIV concepts such as the Very-High-Temperature Reactor (VHTR), it is important to gain a better understanding of the fundamental atomic processes which underpin the behaviour of graphite under current and future operational conditions. This study has focused on the effects of temperature and displacing radiation on the evolution of Mrozowski cracks in highly-orientated pyrolytic graphite (HOPG) using the new Microscope and Ion Accelerator for Materials Investigations (MIAMI) facility. This instrument allows transmission electron microscopy to be performed in situ whilst simultaneously ion irradiating to radiation damage levels typically reached in a reactor. By using this technique, it is possible to explore the development of radiation damage under a range of different conditions continuously from start-to-finish rather than just observing the end-states accessible in ex situ studies.

  3. A study of the structural efficiency of fluted core graphite-epoxy panels

    NASA Technical Reports Server (NTRS)

    Jegley, Dawn C.

    1990-01-01

    The structural efficiency of compression-loaded graphite-epoxy sandwich panels with fluted cores is studied to determine their weight saving potential. Graphite-epoxy equilateral triangular elements are used to construct the fluted cores for the sandwich panels. Two panel configurations are considered. One configuration has two layers of triangular elements in the fluted core and the second configuration has only one layer of triangular elements in the core. An optimization code is used to find the minimum weight design for each panel configuration. Laminate ply orientations are limited to approx. 45, 0, and 90 deg. A constraint on the axial stiffness is included in the design process so the panel will conform to typical constraints for aircraft wing structures. Minimum thickness requirements for each laminate and maximum allowable strains are also included. A comparison is made of the calculated structural efficiency of the fluted core panels to the structural efficiency of aluminum transport aircraft structures and simple blade-stiffened graphite-epoxy panels. Limited experimental results are also included for comparison with the analytical predictions and to identify the critical failure mechanisms of graphite-epoxy fluted-core sandwich panels.

  4. A molecular dynamics study of diamond and graphite under tritium bombardment

    SciTech Connect

    Dunn, A. R.; Duffy, D. M.

    2011-11-15

    Carbon has proven to be a promising plasma facing material in tokamak reactors because of its high thermal conductivity and limited radiative cooling as a plasma contaminant. It is used in a range of forms, mostly graphitic or amorphous. Diamond, however, has superior thermal properties to other forms of carbon but has been largely overlooked due to fears of graphitisation. Tritium retention is, perhaps, the major disadvantage of using carbon as a plasma facing material in a deuterium-tritium fusion reactor. Here, we use molecular dynamics to study the relative performance of diamond and graphite on exposure to tritium bombardment. We model the cumulative bombarded of diamond and graphitic surfaces with a high flux (10{sup 29} m{sup -2} s{sup -1}) of low energy 15 eV tritium atoms. This was done for substrate temperatures in the range 300-2100 K. Below temperatures of graphitisation ({approx}1000 K) the diamond structure confined tritium to the upper surface, this inhibited further structural damage and resulted in lower total retention. The graphitic surface allowed for deeper tritium penetration and therefore greater retention. These results corroborate with recent experimental evidence.

  5. Mössbauer Study of Graphite-Containing Iron Oxide Nanoparticles

    NASA Astrophysics Data System (ADS)

    Sorescu, Monica; Trotta, Richard

    2016-03-01

    Graphite-doped hematite and magnetite nanoparticles systems (~50 nm) were prepared by mechanochemical activation for milling times ranging from 2 to 12 hours. Their structural and magnetic properties were studied by 57Fe Mössbauer spectroscopy. The spectra corresponding to the hematite milled samples were analyzed by considering two sextets, corresponding to the incorporation of carbon atoms into the iron oxide structure. For ball-milling time of 12 hours a quadrupole split doublet has been added, representing the contribution of ultrafine particles. The Mössbauer spectra of graphite-doped magnetite were resolved considering a sextet and a magnetic hyperfine field distribution, corresponding to the tetrahedral and octahedral sublattices of magnetite, respectively. A quadrupole split doublet was incorporated in the fitting of the 12-hour milled sample. The recoilless fraction for all samples was determined using our previously developed dual absorber method. It was found that the recoilless fraction of the graphite-doped hematite nanoparticles decreases as function of ball-milling time. The f factor of graphite-containing magnetite nanoparticles for the tetrahedral sites stays constant, while that of the octahedral sublattice decreases as function of ball-milling time. These findings reinforce the idea that carbon atoms exhibit preference for the octahedral sites of magnetite.

  6. Ultrafast transformation of graphite to diamond: An ab initio molecular dynamics study of graphite under shock compression

    SciTech Connect

    Mundy, Christopher J.; Curioni, Alessandro; Kuo, I-F W.; Goldman, Nir; Reed, Evan; Fried, Larry; Ianuzzi, Marcella

    2008-05-14

    This work was performed while I was LLNL. We present an extremely large scale ab initio calculation of the transformation of graphite to diamond under shock compression utilizing Car-Parrinello Molecular Dynamics (CPMD) in conjunction with the Multi-scale Shock Method (MSSM). Our results indicate that the transition from graphite to diamond is Martensitic, in agreement with experimental observations. We find that a shock of 12 km/s forms a short-lived layered diamond phase that eventually relaxes to a cubic diamond state. Moreover, access to the electronic structure allows the computation of the x-ray absorption spectra (XAS) to characterize the final states. The XAS spectra and wide angle x-ray scattering spectra (WAXS) confirm the presence of a cubic diamond final state.

  7. Gas Gun Studies of Interface Wear Effects

    NASA Astrophysics Data System (ADS)

    Jackson, Tyler; Kennedy, Greg; Thadhani, Naresh

    2011-06-01

    The characteristics of interface wear were studied by performing gas gun experiments at velocities up to 1 km/s. The approach involved developing coefficients of constitutive strength models for Al 6061 and OFHC-Cu, then using those to design die geometry for interface wear gas gun experiments. Taylor rod-on-anvil impact experiments were performed to obtain coefficients of the Johnson-Cook constitutive strength model by correlating experimentally obtained deformed states of impacted samples with those predicted using ANSYS AUTODYN hydrocode. Simulations were used with validated strength models to design geometry involving acceleration of Al rods through a copper concentric cylindrical angular extrusion die. Experiments were conducted using 7.62 mm and 80 mm diameter gas guns. Differences in the microstructure of the interface layer and microhardness values illustrate that stress-strain conditions produced during acceleration of Al through the hollow concentric copper die, at velocities less than 800 m/s, result in formation of a layer via solid state alloying due to severe plastic deformation, while higher velocities produce an interface layer consisting of melted and re-solidified aluminum.

  8. A vibrational spectroscopy study of the orientational ordering in CH 3 Cl monolayers physisorbed on graphite

    NASA Astrophysics Data System (ADS)

    Nalezinski, R.; Bradshaw, A. M.; Knorr, K.

    1997-12-01

    Methylchloride physisorbed on highly ordered pyrolytic graphite (HOPG) has been investigated by infrared reflection-absorption spectroscopy (IRAS). The results confirm the change in orientation of the molecules from flat to inclined between the two 2D crystalline monolayer phases and the up-down staggering in the inclined phase as suggested by previous diffraction studies. At lower coverages the molecules are found to be oriented perpendicular to the substrate, in disagreement with calculations for single, isolated molecules physisorbed on a smooth graphite surface. Measurements of the transient growth behaviour show that this latter state is long-lived and gives rise to complex growth laws. The results show that IRAS is a valuable tool for the study of physisorbed molecular layers.

  9. Molecular design driving tetraporphyrin self-assembly on graphite: a joint STM, electrochemical and computational study

    NASA Astrophysics Data System (ADS)

    El Garah, M.; Santana Bonilla, A.; Ciesielski, A.; Gualandi, A.; Mengozzi, L.; Fiorani, A.; Iurlo, M.; Marcaccio, M.; Gutierrez, R.; Rapino, S.; Calvaresi, M.; Zerbetto, F.; Cuniberti, G.; Cozzi, P. G.; Paolucci, F.; Samorì, P.

    2016-07-01

    Tuning the intermolecular interactions among suitably designed molecules forming highly ordered self-assembled monolayers is a viable approach to control their organization at the supramolecular level. Such a tuning is particularly important when applied to sophisticated molecules combining functional units which possess specific electronic properties, such as electron/energy transfer, in order to develop multifunctional systems. Here we have synthesized two tetraferrocene-porphyrin derivatives that by design can selectively self-assemble at the graphite/liquid interface into either face-on or edge-on monolayer-thick architectures. The former supramolecular arrangement consists of two-dimensional planar networks based on hydrogen bonding among adjacent molecules whereas the latter relies on columnar assembly generated through intermolecular van der Waals interactions. Scanning Tunneling Microscopy (STM) at the solid-liquid interface has been corroborated by cyclic voltammetry measurements and assessed by theoretical calculations to gain multiscale insight into the arrangement of the molecule with respect to the basal plane of the surface. The STM analysis allowed the visualization of these assemblies with a sub-nanometer resolution, and cyclic voltammetry measurements provided direct evidence of the interactions of porphyrin and ferrocene with the graphite surface and offered also insight into the dynamics within the face-on and edge-on assemblies. The experimental findings were supported by theoretical calculations to shed light on the electronic and other physical properties of both assemblies. The capability to engineer the functional nanopatterns through self-assembly of porphyrins containing ferrocene units is a key step toward the bottom-up construction of multifunctional molecular nanostructures and nanodevices.Tuning the intermolecular interactions among suitably designed molecules forming highly ordered self-assembled monolayers is a viable approach to

  10. A Study on Effect of Graphite Particles on Tensile, Hardness and Machinability of Aluminium 8011 Matrix Material

    NASA Astrophysics Data System (ADS)

    Latha Shankar, B.; Anil, K. C.; Karabasappagol, Prasann J.

    2016-09-01

    Industrial application point of view, metal matrix composites in general and Aluminium alloy matrix composites in particular are ideal candidates because of their favourable engineering properties. Being lightweight Aluminium matrix composites are widely used in aircraft, defence and automotive industries. In this work Aluminium 8011 metal matrix was reinforced with fine Graphite particles of 50 μm. developed by two-step Stir casting method. Graphite weight %was varied in the range 2, 4, 6 and 8%. Uniform dispersion of graphite particle is examined under optical microscope. Tensile test coupons were prepared as per standard to determine % of elongation and tensile strength for various % of graphite particle. Hardness of developed composite for various % of graphite particle and Machinability parameters were also studied for effect on surface finish. It was observed that with increase of weight percentage of Graphite particles up to 8% in Aluminium 8011 alloy matrix there was increase in tensile strength, decrease in % of elongation with increase in hardness. Machinability study revealed that, there was decrease in surface roughness with increase in Graphite content.

  11. Molecular design driving tetraporphyrin self-assembly on graphite: a joint STM, electrochemical and computational study.

    PubMed

    El Garah, M; Santana Bonilla, A; Ciesielski, A; Gualandi, A; Mengozzi, L; Fiorani, A; Iurlo, M; Marcaccio, M; Gutierrez, R; Rapino, S; Calvaresi, M; Zerbetto, F; Cuniberti, G; Cozzi, P G; Paolucci, F; Samorì, P

    2016-07-14

    Tuning the intermolecular interactions among suitably designed molecules forming highly ordered self-assembled monolayers is a viable approach to control their organization at the supramolecular level. Such a tuning is particularly important when applied to sophisticated molecules combining functional units which possess specific electronic properties, such as electron/energy transfer, in order to develop multifunctional systems. Here we have synthesized two tetraferrocene-porphyrin derivatives that by design can selectively self-assemble at the graphite/liquid interface into either face-on or edge-on monolayer-thick architectures. The former supramolecular arrangement consists of two-dimensional planar networks based on hydrogen bonding among adjacent molecules whereas the latter relies on columnar assembly generated through intermolecular van der Waals interactions. Scanning Tunneling Microscopy (STM) at the solid-liquid interface has been corroborated by cyclic voltammetry measurements and assessed by theoretical calculations to gain multiscale insight into the arrangement of the molecule with respect to the basal plane of the surface. The STM analysis allowed the visualization of these assemblies with a sub-nanometer resolution, and cyclic voltammetry measurements provided direct evidence of the interactions of porphyrin and ferrocene with the graphite surface and offered also insight into the dynamics within the face-on and edge-on assemblies. The experimental findings were supported by theoretical calculations to shed light on the electronic and other physical properties of both assemblies. The capability to engineer the functional nanopatterns through self-assembly of porphyrins containing ferrocene units is a key step toward the bottom-up construction of multifunctional molecular nanostructures and nanodevices.

  12. Molecular design driving tetraporphyrin self-assembly on graphite: a joint STM, electrochemical and computational study.

    PubMed

    El Garah, M; Santana Bonilla, A; Ciesielski, A; Gualandi, A; Mengozzi, L; Fiorani, A; Iurlo, M; Marcaccio, M; Gutierrez, R; Rapino, S; Calvaresi, M; Zerbetto, F; Cuniberti, G; Cozzi, P G; Paolucci, F; Samorì, P

    2016-07-14

    Tuning the intermolecular interactions among suitably designed molecules forming highly ordered self-assembled monolayers is a viable approach to control their organization at the supramolecular level. Such a tuning is particularly important when applied to sophisticated molecules combining functional units which possess specific electronic properties, such as electron/energy transfer, in order to develop multifunctional systems. Here we have synthesized two tetraferrocene-porphyrin derivatives that by design can selectively self-assemble at the graphite/liquid interface into either face-on or edge-on monolayer-thick architectures. The former supramolecular arrangement consists of two-dimensional planar networks based on hydrogen bonding among adjacent molecules whereas the latter relies on columnar assembly generated through intermolecular van der Waals interactions. Scanning Tunneling Microscopy (STM) at the solid-liquid interface has been corroborated by cyclic voltammetry measurements and assessed by theoretical calculations to gain multiscale insight into the arrangement of the molecule with respect to the basal plane of the surface. The STM analysis allowed the visualization of these assemblies with a sub-nanometer resolution, and cyclic voltammetry measurements provided direct evidence of the interactions of porphyrin and ferrocene with the graphite surface and offered also insight into the dynamics within the face-on and edge-on assemblies. The experimental findings were supported by theoretical calculations to shed light on the electronic and other physical properties of both assemblies. The capability to engineer the functional nanopatterns through self-assembly of porphyrins containing ferrocene units is a key step toward the bottom-up construction of multifunctional molecular nanostructures and nanodevices. PMID:27376633

  13. Functional group effects on the enthalpy of adsorption for self-assembly at the solution/graphite interface.

    PubMed

    Barnard, Rachel A; Matzger, Adam J

    2014-07-01

    The thermodynamics of self-assembly have long been explored by either experimental or theoretical investigations which are often unable to account for all the factors influencing the assembly process. This work interrogates the thermodynamics of self-assembly at a liquid/solid interface by measuring the enthalpy of adsorption encompassing analyte-analyte, analyte-solvent, analyte-substrate, and solvent-substrate interactions. Comparison of the experimental data with computed lattice energies for the relevant monolayers across a series of aliphatic analytes reveals similar ordering within the series, with the exceptions of the fatty acid and bromoalkane adsorbates. Such a discrepancy could arise when the lattice energies do not account for important interactions, such as analyte-analyte interactions in solution. Flow microcalorimetry provides a uniquely inclusive view of the thermodynamic events relevant to self-assembly at the liquid/solid interface.

  14. Discrete polygonal supramolecular architectures of isocytosine-based Pt(ii) complexes at the solution/graphite interface.

    PubMed

    El Garah, Mohamed; Sinn, Stephan; Dianat, Arezoo; Santana-Bonilla, Alejandro; Gutierrez, Rafael; De Cola, Luisa; Cuniberti, Gianaurelio; Ciesielski, Artur; Samorì, Paolo

    2016-09-25

    Polygonal supramolecular architectures of a Pt(ii) complex including trimers, tetramers, pentamers and hexamers were self-assembled via hydrogen bonding between isocytosine moieties; their structure at the solid/liquid interface was unravelled by in situ scanning tunneling microscopy imaging. Density functional theory calculations provided in-depth insight into the thermodynamics of their formation by exploring the different energy contributions attributed to the molecular self-assembly and adsorption processes. PMID:27561126

  15. Feasibility Study of Graphite Epoxy Antenna for a Microwave Limb Sounder Radiometer (MLSR)

    NASA Technical Reports Server (NTRS)

    1979-01-01

    Results are presented of a feasibility study to design graphite epoxy antenna reflectors for a jet propulsion laboratory microwave limb sounder instrument (MLSR). Two general configurations of the offset elliptic parabolic reflectors are presented that will meet the requirements on geometry and reflector accuracy. The designs consist of sandwich construction for the primary reflectors, secondary reflector support structure and cross-tie members between reflector pairs. Graphite epoxy materials of 3 and 6 plies are used in the facesheets of the sandwich. An aluminum honeycomb is used for the core. A built-in adjustment system is proposed to reduce surface distortions during assembly. The manufacturing and environmental effects are expected to result in surface distortions less than .0015 inch and pointing errors less than .002 degree.

  16. Two-Fluid Interface Instability Being Studied

    NASA Technical Reports Server (NTRS)

    Niederhaus, Charles E.

    2003-01-01

    The interface between two fluids of different density can experience instability when gravity acts normal to the surface. The relatively well known Rayleigh-Taylor (RT) instability results when the gravity is constant with a heavy fluid over a light fluid. An impulsive acceleration applied to the fluids results in the Richtmyer-Meshkov (RM) instability. The RM instability occurs regardless of the relative orientation of the heavy and light fluids. In many systems, the passing of a shock wave through the interface provides the impulsive acceleration. Both the RT and RM instabilities result in mixing at the interface. These instabilities arise in a diverse array of circumstances, including supernovas, oceans, supersonic combustion, and inertial confinement fusion (ICF). The area with the greatest current interest in RT and RM instabilities is ICF, which is an attempt to produce fusion energy for nuclear reactors from BB-sized pellets of deuterium and tritium. In the ICF experiments conducted so far, RM and RT instabilities have prevented the generation of net-positive energy. The $4 billion National Ignition Facility at Lawrence Livermore National Laboratory is being constructed to study these instabilities and to attempt to achieve net-positive yield in an ICF experiment.

  17. Trade study plan for Graphite Composite Primary Structure (GCPS)

    NASA Technical Reports Server (NTRS)

    Greenberg, H. S.

    1994-01-01

    This TA 2 document (with support from TA 1) describes the trade study plan that will identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 degree inclination For this most suitable configuration the structural attachment of the wing, and the most suitable GCPS composite materials for intertank, wing, tail and thrust structure are identified. This trade study analysis uses extensive information derived in the TA 1 trade study plan and is identified within the study plan. In view of this, for convenience, the TA 1 study plan is included as an appendix to this document.

  18. The Surface Interface Characteristics of Vertically Aligned Carbon Nanotube and Graphitic Carbon Fiber Arrays Grown by Thermal and Plasma Enhanced Chemical Vapor Deposition

    NASA Technical Reports Server (NTRS)

    Delzeit, Lance; Nguyen, Cattien; Li, Jun; Han, Jie; Meyyappan, M.

    2002-01-01

    The development of nano-arrays for sensors and devices requires the growth of arrays with the proper characteristics. One such application is the growth of vertically aligned carbon nanotubes (CNTs) and graphitic carbon fibers (GCFs) for the chemical attachment of probe molecules. The effectiveness of such an array is dependent not only upon the effectiveness of the probe and the interface between that probe and the array, but also the array and the underlaying substrate. If that array is a growth of vertically aligned CNTs or GCFs then the attachment of that array to the surface is of the utmost importance. This attachment provides the mechanical stability and durability of the array, as well as, the electrical properties of that array. If the detection is to be acquired through an electrical measurement, then the appropriate resistance between the array and the surface need to be fabricated into the device. I will present data on CNTs and GCFs grown from both thermal and plasma enhanced chemical vapor deposition. The focus will be on the characteristics of the metal film from which the CNTs and GCFs are grown and the changes that occur due to changes within the growth process.

  19. Steric matching and the concentration induced self-assembled structural variety of 2,7-bis(n-alkoxy)-9-fluorenone at the aliphatic solvent/graphite interface.

    PubMed

    Miao, Xinrui; Xu, Li; Cui, Lihua; Deng, Wenli

    2014-06-28

    Controlling and unraveling structural polymorphism has received special attention in 2D self-assembled monolayers. In this work, we investigated the steric matching and solution concentration controlled structural variety in the self-assembly of 2,7-bis(n-alkoxy)-9-fluorenone (F-OCn) at the n-tetradecane and n-tridecane/graphite interface under different concentrations, respectively. Scanning tunneling microscopy (STM) revealed that the coadsorbed adlayers of F-OCn and solvents (n = 12 to 16) were formed and exhibited concentration dependent 2D phases due to the steric matching. The self-assembled monolayer of F-OCn (n = 12 to 16) evolved from a low-density coadsorbed linear lamellar packing, which was formed at low concentrations, to higher-density patterns at relatively high concentrations. F-OC14 exhibited a complex structural variety, in which a systematic trend of decrease in the molecular density per unit cell with decreasing concentration was obtained. Except for F-OCn (n = 13, 15, 17), the zigzag structure showing the linear lamella with dimers was observed. Systematic experiments revealed that the self-assembly of F-OCn was chain-length dependent. The results provide insight into the structural variety exhibited by a series of organic molecules and furnish important guidelines to control the morphology by changing the solution concentration. PMID:24832360

  20. Femtosecond Studies of Electrons at Interfaces

    NASA Astrophysics Data System (ADS)

    Harris, Charles

    2000-03-01

    Binding energies and ultrafast relaxation dynamics of image electrons reflect the nature of the electronic interaction with both the substrate and the adsorbed layer[1,2]. We demonstrate that a positive(attractive) affinity materials, such as Xe overlayers, lead to quantum well states at the interface. Negative(repulsive) affinity materials, such a n-alkane overlayers, present a tunneling barrier that dominates the energies and lifetimes of the image electrons. With the time- and angle-resolved two-photon photoemission technique(TPPE), it is possible to directly observe the dynamics of interfacial electrons with specific energy and parallel momentum. Oscillation in the lifetime of image state electrons as a function of Xe layer thickness is attributed to a quantum size effect and the formation of quantum wells at the Xe/Ag(111) interface[3]. Binding energy measurements as a function of Xe layer thickness in combination with parallel dispersion measurements allow the mapping of the three dimensional electronic structure of bulk Xe. At the n-alkane/Ag(111) interface, image electrons become spatially localized and self-trap into a small polaron state within a few hundred femtosecond[4]. The energy dependence of the self-trapping rate has been modeled with a theory analogous to electron transfer theory. Finally, the immediate extension of this research to study other electron dynamic processes, such as two dimensional electron solvation at interfaces, will be discussed. [1] Fauster, T.; Steinmann, W. Two-Photon Photoemission Spectroscopy of Image States. In Photonic Probes of Surfaces; Halevi, P., Ed.; Elsevier: Amsterdam, 1995; pp. 346-411. [2] Harris, C.B.; Ge, N.-H.; Lingle, Jr., R.L.; McNeill, J.D.; Wong, C.M. Annu. Rev. Phys. Chem. 1997, 48, 711. [3] McNeill, J.D.; Lingle, R.L.,Jr.; Ge, N.-H.; Wong, C.M.; Jordan, R.E.; Harris, C.B. Phys. Rev. Lett. 1997, 79, 4645. [4] Ge, N.-H.; Wong, C.M.; Lingle, R.L., Jr.; McNeill, J.D.; Gaffney, K.J.; Harris, C.B. Science 1998

  1. Determining whether metals nucleate homogeneously on graphite: A case study with copper

    DOE PAGES

    Appy, David; Lei, Huaping; Han, Yong; Wang, Cai -Zhuang; Tringides, Michael C.; Shao, Dahai; Kwolek, Emma J.; Evans, J. W.; Thiel, P. A.

    2014-11-05

    In this study, we observe that Cu clusters grow on surface terraces of graphite as a result of physical vapor deposition in ultrahigh vacuum. We show that the observation is incompatible with a variety of models incorporating homogeneous nucleation and calculations of atomic-scale energetics. An alternative explanation, ion-mediated heterogeneous nucleation, is proposed and validated, both with theory and experiment. This serves as a case study in identifying when and whether the simple, common observation of metal clusters on carbon-rich surfaces can be interpreted in terms of homogeneous nucleation. We describe a general approach for making system-specific and laboratory-specific predictions.

  2. Exploring the electrocatalytic sites of carbon nanotubes for NADH detection: an edge plane pyrolytic graphite electrode study.

    PubMed

    Banks, Craig E; Compton, Richard G

    2005-09-01

    The electrocatalytic properties of multi-walled carbon nanotube modified electrodes toward the oxidation of NADH are critically evaluated. Carbon nanotube modified electrodes are examined and compared with boron-doped diamond and glassy carbon electrodes, and most importantly, edge plane and basal pyrolytic graphite electrodes. It is found that CNT modified electrodes are no more reactive than edge plane pyrolytic graphite electrodes with the comparison with edge plane and basal plane pyrolytic graphite electrodes allowing the electroactive sites for the electrochemical oxidation of NADH to be unambiguously determined as due to edge plane sites. Using these highly reactive edge plane sites, edge plane pyrolytic graphite electrodes are examined with cyclic voltammetry and amperometry for the electroanalytical determination of NADH. It is demonstrated that a detection limit of 5 microM is possible with cyclic voltammetry or 0.3 microM using amperometry suggesting that edge plane pyrolytic graphite electrodes can conveniently replace carbon nanotube modified glassy carbon electrodes for biosensing applications with the relative advantages of reactivity, cost and simplicity of preparation. We advocate the routine use of edge plane and basal plane pyrolytic graphite electrodes in studies utilising carbon nanotubes particularly if 'electrocatalytic' properties are claimed for the latter.

  3. Ordering layers of [bmim][PF6] ionic liquid on graphite surfaces: molecular dynamics simulation.

    PubMed

    Maolin, Sha; Fuchun, Zhang; Guozhong, Wu; Haiping, Fang; Chunlei, Wang; Shimou, Chen; Yi, Zhang; Jun, Hu

    2008-04-01

    Microscopic structures of room temperature ionic liquid (IL) [bmim][PF6] on hydrophobic graphite surfaces have been studied in detail by molecular dynamics simulation. It is clearly shown that both the mass and electron densities of the surface adsorbed ionic liquid are oscillatory, and the first peak adjacent to the graphite surface is considerably higher than others, corresponding to a solidlike IL bottom layer of 6 angstroms thick. Three IL layers are indicated between the graphite surface and the inner bulk IL liquid. The individually simulated properties of single-, double-, and triple-IL layers on the graphite surface are very similar to those of the layers between the graphite surface and the bulk liquid, indicating an insignificant effect of vapor-IL interface on the ordered IL layers. The simulation also indicates that the imidazolium ring and butyl tail of the cation (bmim+) of the IL bottom layer lie flat on the graphite surface.

  4. Spectroscopic study of energetic helium-ion irradiation effects on nuclear graphite tiles

    NASA Astrophysics Data System (ADS)

    Kim, Do Wan; Lee, K. W.; Choi, D. M.; Noh, S. J.; Kim, H. S.; Lee, Cheol Eui

    2016-02-01

    Helium ion-irradiation effects on the nuclear graphite tiles were studied in order to understand the structural modifications and damages that can be produced by fusion reaction in tokamaks. The surface morphological changes due to increasing dose of the irradiation were examined by the field-effect scanning electron microscopy, and X-ray photoelectron spectroscopy elucidated the changes in the shallow surface bonding configurations caused by the energetic irradiation. Raman spectroscopy revealed the structural defects and diamond-like carbon sites that increased with increasing irradiation dose, and the average inter-defect distance was found from the Raman peak intensities as a function of the irradiation dose.

  5. GRAPHITE EXTRUSIONS

    DOEpatents

    Benziger, T.M.

    1959-01-20

    A new lubricant for graphite extrusion is described. In the past, graphite extrusion mixtures have bcen composed of coke or carbon black, together with a carbonaceous binder such as coal tar pitch, and a lubricant such as petrolatum or a colloidal suspension of graphite in glycerin or oil. Sinee sueh a lubricant is not soluble in, or compatible with the biiider liquid, such mixtures were difficult to extrude, and thc formed pieees lacked strength. This patent teaches tbe use of fatty acids as graphite extrusion lubricants and definite improvemcnts are realized thereby since the fatty acids are soluble in the binder liquid.

  6. Study of Behavior of Sterols at Interfaces

    NASA Technical Reports Server (NTRS)

    Klein, P. D.; Knight, J. C.; Szczepanik, P. A.

    1968-01-01

    Behavior of sterols and sterol acetates on various types of interfaces indicates that the function of a sterol depends upon a surface orientation and surface energy of the interface. Column-chromatographic techniques determine the retention volume of various sterols under standard conditions.

  7. STM Studies of Mn12-Ph on Highly Oriented Pyrolytic Graphite

    NASA Astrophysics Data System (ADS)

    Reaves, K.; Kim, K.; Iwaya, K.; Hitosugi, T.; Kim, Y. G.; Itaya, K.; Zhao, H.; Dunbar, K. R.; Katzgraber, H. G.; Teizer, W.

    2012-02-01

    Mn12-Ph displays tunneling of quantized magnetization below 3K. In other Mn12 ligand variants this magnetic behavior can alter the electronic behavior of the molecule making it a good candidate for a molecular logic gate. Mn12O12(C6H5COO)16 (Mn12-Ph) has a Mn12 core and 16 Phenyl ligands and is deposited onto the surface of highly oriented pyrolytic graphite (HOPG). The samples are then studied via scanning tunneling microscopy in air at 300K and in ultra high vacuum at 300K and 4.2K. At 300K, film formation is studied to optimize samples for subsequent low-temperature studies. Isolated objects are observed via STM on the surface, clearly distinct from the underlying graphite lattice. Topographic data are analyzed in an attempt to correlate apparent features to the internal molecular structure of Mn12-Ph. Voltage spectra of locations thought to be associated with the molecular core are compared to other locations thought to be the HOPG and Phenyl. Spectroscopic data indicate a bias voltage dependence at locations associated with the internal molecular structure thought to be related to the metallic-core of the molecules.

  8. Study of conformation and dynamic of surfactant molecules in graphite oxide via NMR

    NASA Astrophysics Data System (ADS)

    Ai, X. Q.; Ma, L. G.

    2016-08-01

    The conformation and dynamic of surfactant in graphite oxide (GO) was investigated by solid-state 13C magic-angle-spinning NMR and 1H-13C cross-polarization/magic-angle-spinning NMR spectra. The conformation ordering of the alkyl chains in the confined system shows strong dependence on its orientation. While the alkyl chains parallel to the GO layer in lateral monolayer arrangement are in gauche conformation in addition to a small amount of all-trans conformation, those with orientation radiating away from the GO in paraffin bilayer arrangement is in all-trans conformation in addition to some gauche conformation even though high-order diffraction peaks appears. NMR results suggest that the least mobile segment is located at the GO-surfactant interface corresponding to the N-methylene group. Further from it, the mobility of the alkyl chain increases. The terminal methyl and N-methyl carbon groups have the highest mobile. The chains in all-trans conformational state are characterized as more rigid than chains with gauche conformation; each segment of the confined alkyl chains with the lateral monolayer arrangement exhibits less mobility as compared to that with the paraffin bilayer arrangement.

  9. The use of electron scattering for studying atomic momentum distributions: the case of graphite and diamond.

    PubMed

    Vos, M; Moreh, R; Tokési, K

    2011-07-14

    The momentum distributions of C atoms in polycrystalline diamond (produced by chemical vapor deposition) and in highly oriented pyrolitic graphite (HOPG) are studied by scattering of 40 keV electrons at 135°. By measuring the Doppler broadening of the energy of the elastically scattered electrons, we resolve a Compton profile of the motion of the C atoms. The aim of the present work is to resolve long-standing disagreements between the calculated kinetic energies of carbon atoms in HOPG and in diamond films and the measured ones, obtained both by neutron Compton scattering (NCS) and by nuclear resonance photon scattering (NRPS). The anisotropy of the momentum distribution in HOPG was measured by rotating the HOPG sample relative to the electron beam. The obtained kinetic energies for the motion component along, and perpendicular to, the graphite planes were somewhat higher than those obtained from the most recent NCS data of HOPG. Monte Carlo simulations indicate that multiple scattering adds about 2% to the obtained kinetic energies. The presence of different isotopes in carbon affects the measurement at a 1% level. After correcting for these contributions, the kinetic energies are 3%-6% larger than the most recent NCS results for HOPG, but 15%-25% smaller than the NRPS results. For diamond, the corrected direction-averaged kinetic energy is ≈ 6% larger than the calculated value. This compares favorably to the ≈25% discrepancy between theory and both the NCS and NRPS results for diamond.

  10. Analytical study of graphite-epoxy tube response to thermal loads

    NASA Technical Reports Server (NTRS)

    Knott, Tamara W.; Hyer, M. W.

    1988-01-01

    The thermally-induced stresses and deformations in graphite-epoxy tubes with aluminum foil bonded to both inner and outer surfaces, and to the outer surface only are computed. Tubes fabricated from three material systems, T300/934, P75s/934, and P75s/BP907, and having a 1 inch inner radius and a lamination sequence of (+15/0 + or - 10/0)sub s are studied. Radial, axial, and circumferential stresses in the various layers of the tube, in the foil, and in the adhesive bonding the foil to the tubes are computed using an elasticity solution. The results indicate that the coatings have no detrimental effect on the stress state in the tube, particularly those stresses that lead to microcracking. The addition of the aluminum foil does, however, significantly influence the axial expansion of the T300/934 tube, the tube with the softer graphite fibers. The addition of foil can change the sign of the axial coefficient of thermal expansion. Twist tendencies of the tubes are only slightly affected by the addition of the coatings, but are of second order compared to the axial response.

  11. Structural study and crystal chemistry of the first stage calcium graphite intercalation compound

    SciTech Connect

    Emery, Nicolas; Herold, Claire . E-mail: Claire.Herold@lcsm.uhp-nancy.fr; Lagrange, Philippe

    2005-09-15

    A novel and efficient synthesis method concerning the preparation of the first stage calcium graphite intercalation compound is provided. It makes use of a reaction between liquid metallic alloy and pyrolytic graphite. From now on it is especially easy to obtain bulk CaC{sub 6} samples. Thanks to such samples, it was possible to study in detail the crystal structure of this binary intercalation compound. It has been entirely specified, so that we know that CaC{sub 6} crystal is rhombohedral and belongs to the R3-bar m space group with the following parameters: a=517pm and {alpha}=49.55 deg. The elemental unit cell contains one calcium atom and six carbon atoms. In this paper, we show also how the various MC{sub 6} structures evolve according to the size of the intercalated element and to the bond nature that appears in the final compound. CaC{sub 6} is unique, since all the other MC{sub 6} compounds exhibit a hexagonal symmetry.

  12. An ab initio study on the transition paths from graphite to diamond under pressure.

    PubMed

    Dong, Xiao; Zhou, Xiang-Feng; Qian, Guang-Rui; Zhao, Zhisheng; Tian, Yongjun; Wang, Hui-Tian

    2013-04-10

    We calculate and compare the transition paths from graphite to two types of diamond using the variable cell nudged elastic band method. For the phase transition from graphite to cubic diamond, we analyze in detail how the π bonds transit to the σ bonds in an electronic structure. Meanwhile, a new transition path with a lower energy barrier for the transformation from graphite to hexagonal diamond is discovered. The path has its own peculiar sp(2)-sp(3) bonding configurations, serving as a transition state. Further calculation suggests that the sp(2)-sp(3) transition state represents an expected general phenomenon for cold-compressed graphite.

  13. Study of passive film formation on graphite surface lithiated in the polysiloxane based electrolyte for the application to lithium secondary battery

    NASA Astrophysics Data System (ADS)

    Nakahara, Hiroshi

    The solid electrolyte interface (SEI) which passivates the carbonaceous material in an organic electrolyte is at the forefront of battery research because the nature of the SEI strongly affects lithium ion battery performance. Aside from lithium ion cells, the lithium cell with polymer electrolyte has received considerable attention because of efforts to improve lithium cell safety. However, the nature of the SEI on the carbonaceous material in a polymer electrolyte is not understood in depth to the same extent as the SEI in organic electrolytes. In this project, siloxane-based electrolyte was studied to improve safety and performance of lithium secondary cells, and the SEI on the carbonaceous materials charged in the siloxane-based electrolyte was investigated. Two types of SEI films were observed to form on the highly oriented pyrolytic graphite (HOPG) lithiated in the siloxane-based electrolyte. These films were morphologically and compositionally distinct, and were described as island-like and gel-like. In addition, electrochemical impedance analysis was performed with an electrochemical cell containing a thin graphite electrode to clarify the electrical characteristics of the SEI. The value of the charge transfer resistance, Rct, for siloxane-based electrolyte was two orders of greater than conventional carbonate-based electrolytes. Electrolyte additives, such as vinyl ethylene carbonate (VEC), the type of electrolyte salt, and siloxane molecule structure reduced the value of Rct. Based on FT-IR spectra, the SEI was composed of the flexible groups -Si-O- and -C-O-. These flexible function groups are expected to absorb the volumetric changes of graphite particles during lithiating and delithiating in an electrochemical cell, which will prevent continuous decomposition of siloxane electrolyte on the graphite surface. In addition, the surface species on the lithium transition metal oxide (LiMeO2) delithiated in the polysiloxane-based electrolyte was investigated

  14. Wave-packet study of H2 formation on a graphite surface through the Langmuir-Hinshelwood mechanism.

    PubMed

    Morisset, S; Aguillon, F; Sizun, M; Sidis, V

    2005-05-15

    We have studied the formation of the H2 molecule on a graphite surface, when both H atoms are initially physisorbed. The graphite surface is assumed to be planar. The interaction potential is modeled to reproduce the experimental properties of H physisorption on graphite. Extending our previous work [S. Morisset, F. Aguillon, M. Sizun, and V. Sidis, J. Chem. Phys. 121, 6493 (2004)], full-dimensionality quantum calculations are presented for collision energies ranging from 4 to 50 meV. It is shown that the reaction occurs with a large cross section and produces the H2 molecule with a considerable amount of vibrational energy. The mechanism is either direct or involves the formation of an intermediate complex.

  15. Dynamics explorer: Interface definition study, volume 1

    NASA Technical Reports Server (NTRS)

    1978-01-01

    Work done in response to the work statement wherein a specific deliverable was not identified but where design and analysis tasks were identified is reported. The summary and baseline change list is included along with design notes for the spacecraft system, thermal subsystem, power subsystem, communications subsystem, plasma wave instrument interface definition, and the structure.

  16. Experimental studies of graphite-epoxy and boron-epoxy angle ply laminates in compression

    NASA Technical Reports Server (NTRS)

    Weller, T.

    1977-01-01

    A test program aimed at studying the nonlinear/inelastic response under axial compression across a wide range of angle ply was graphite-epoxy and boron-epoxy laminates was presented and described. The strength allowables corresponding to the various laminate configurations were defined and the failure mechanisms which dictate their mode of failure were detected. The program involved two types of specimens for each laminate configuration: compression sandwich coupons and compression tubes. The test results indicate that the coupons perform better than the tubes displaying considerably high stress-strain allowables and mechanical properties relative to the tubes. Also, it is observed that depending on their dimensions the coupons are susceptible to very pronounced edge effects. This sensitivity results in assigning to the laminate conservative mechanical properties rather than the actual ones.

  17. Polymer Adsorption on Graphite and CVD Graphene Surfaces Studied by Surface-Specific Vibrational Spectroscopy.

    PubMed

    Su, Yudan; Han, Hui-Ling; Cai, Qun; Wu, Qiong; Xie, Mingxiu; Chen, Daoyong; Geng, Baisong; Zhang, Yuanbo; Wang, Feng; Shen, Y R; Tian, Chuanshan

    2015-10-14

    Sum-frequency vibrational spectroscopy was employed to probe polymer contaminants on chemical vapor deposition (CVD) graphene and to study alkane and polyethylene (PE) adsorption on graphite. In comparing the spectra from the two surfaces, it was found that the contaminants on CVD graphene must be long-chain alkane or PE-like molecules. PE adsorption from solution on the honeycomb surface results in a self-assembled ordered monolayer with the C-C skeleton plane perpendicular to the surface and an adsorption free energy of ∼42 kJ/mol for PE(H(CH2CH2)nH) with n ≈ 60. Such large adsorption energy is responsible for the easy contamination of CVD graphene by impurity in the polymer during standard transfer processes. Contamination can be minimized with the use of purified polymers free of PE-like impurities.

  18. A study of the deposition of carbide coatings on graphite fibers. [to increase electrical resistance

    NASA Technical Reports Server (NTRS)

    Suplinskas, R. J.; Henze, T. W.

    1979-01-01

    The chemical vapor deposition of boron carbide and silicon carbide on graphite fibers to increase their electrical resistance was studied. Silicon carbide coatings were applied without degradation of the mechanical properties of the filaments. These coatings typically added 1000 ohms to the resistance of a filament as measured between two mercury pools. When SiC-coated filaments were oxidized by refluxing in boiling phosphoric acid, average resistance increased by an additional 1000 ohms; in addition resistance increases as high as 150 K ohms and breakdown voltages as high as 17 volts were noted. Data on boron carbide coatings indicated that such coatings would not be effective in increasing resistance, and would degrade the mechanical properties.

  19. Disposal options for burner ash from spent graphite fuel. Final study report November 1993

    SciTech Connect

    Pinto, A.P.

    1994-08-01

    Three major disposal alternatives are being considered for Fort St. Vrain Reactor (FSVR) and Peach Bottom Reactor (PBR) spent fuels: direct disposal of packaged, intact spent fuel elements; (2) removal of compacts to separate fuel into high-level waste (HLW) and low-level waste (LLW); and (3) physical/chemical processing to reduce waste volumes and produce stable waste forms. For the third alternative, combustion of fuel matrix graphite and fuel particle carbon coatings is a preferred technique for head-end processing as well as for volume reduction and chemical pretreatment prior to final fixation, packaging, and disposal of radioactive residuals (fissile and fertile materials together with fission and activation products) in a final repository. This report presents the results of a scoping study of alternate means for processing and/or disposal of fissile-bearing particles and ash remaining after combustion of FSVR and PBR spent graphite fuels. Candidate spent fuel ash (SFA) waste forms in decreasing order of estimated technical feasibility include glass-ceramics (GCs), polycrystalline ceramic assemblages (PCAs), and homogeneous amorphous glass. Candidate SFA waste form production processes in increasing order of estimated effort and cost for implementation are: low-density GCs via fuel grinding and simultaneous combustion and waste form production in a slagging cyclone combustor (SCC); glass or low-density GCs via fluidized bed SFA production followed by conventional melting of SFA and frit; PCAs via fluidized bed SFA production followed by hot isostatic pressing (HIPing) of SFA/frit mixtures; and high-density GCs via fluidized bed SFA production followed by HIPing of Calcine/Frit/SFA mixtures.

  20. Comparative study of van der Waals corrections to the bulk properties of graphite.

    PubMed

    Rêgo, Celso R C; Oliveira, Luiz N; Tereshchuk, Polina; Da Silva, Juarez L F

    2015-10-21

    Graphite is a stack of honeycomb (graphene) layers bound together by nonlocal, long-range van der Waals (vdW) forces, which are poorly described by density functional theory (DFT) within local or semilocal exchange-correlation functionals. Several approximations have been proposed to add a vdW correction to the DFT total energies (Stefan Grimme (D2 and D3) with different damping functions (D3-BJ), Tkatchenko-Scheffler (TS) without and with self-consistent screening (TS  +  SCS) effects). Those corrections have remarkly improved the agreement between our results and experiment for the interlayer distance (from 3.9 to 0.6%) [corrected] and high-level random-phase approximation (RPA) calculations for interlayer binding energy (from 69.5 to 1.5%). [corrected]. We report a systematic investigation of various structural, energetic and electron properties with the aforementioned vdW corrections followed by comparison with experimental and theoretical RPA data. Comparison between the resulting relative errors shows that the TS  +  SCS correction provides the best results; the other corrections yield significantly larger errors for at least one of the studied properties. If considerations of computational costs or convergence problems rule out the TS  +  SCS approach, we recommend the D3-BJ correction. Comparison between the computed π(z)Γ-splitting and experimental results shows disagreements of 10% or more with all vdW corrections. Even the computationally more expensive hybrid PBE0 has proved unable to improve the agreement with the measured splitting. Our results indicate that improvements of the exchange-correlation functionals beyond the vdW corrections are necessary to accurately describe the band structure of graphite.

  1. Comparative study of van der Waals corrections to the bulk properties of graphite

    NASA Astrophysics Data System (ADS)

    Rêgo, Celso R. C.; Oliveira, Luiz N.; Tereshchuk, Polina; Da Silva, Juarez L. F.

    2015-10-01

    Graphite is a stack of honeycomb (graphene) layers bound together by nonlocal, long-range van der Waals (vdW) forces, which are poorly described by density functional theory (DFT) within local or semilocal exchange-correlation functionals. Several approximations have been proposed to add a vdW correction to the DFT total energies (Stefan Grimme (D2 and D3) with different damping functions (D3-BJ), Tkatchenko-Scheffler (TS) without and with self-consistent screening (TS  +  SCS) effects). Those corrections have remarkly improved the agreement between our results and experiment for the interlayer distance (from 3.8 to 0.1%) and high-level random-phase approximation (RPA) calculations for interlayer binding energy (from 56.2 to 0.6%). We report a systematic investigation of various structural, energetic and electron properties with the aforementioned vdW corrections followed by comparison with experimental and theoretical RPA data. Comparison between the resulting relative errors shows that the TS  +  SCS correction provides the best results; the other corrections yield significantly larger errors for at least one of the studied properties. If considerations of computational costs or convergence problems rule out the TS  +  SCS approach, we recommend the D3-BJ correction. Comparison between the computed {πz}Γ\\text{ } -splitting and experimental results shows disagreements of 10% or more with all vdW corrections. Even the computationally more expensive hybrid PBE0 has proved unable to improve the agreement with the measured splitting. Our results indicate that improvements of the exchange-correlation functionals beyond the vdW corrections are necessary to accurately describe the band structure of graphite.

  2. Electronic and total energy properties of ternary and quaternary semiconductor compounds, alloys, and superlattices: Theoretical study of Cu/graphite bonding

    NASA Technical Reports Server (NTRS)

    Lambrecht, Walter R. L.

    1992-01-01

    The goals of the research were to provide a fundamental science basis for why the bonding of Cu to graphite is weak, to critically evaluate the previous analysis of the wetting studies with particular regard to the values used for the surface energies of Cu and graphite, and to make recommendations for future experiments or other studies which could advance the understanding and solution of this technological problem. First principles electronic structure calculations were used to study the problem. These are based on density functional theory in the local density approximation and the use of the linear muffin-tin orbital band structure method. Calculations were performed for graphite monolayers, single crystal graphite with the hexagonal AB stacking, bulk Cu, Cu(111) surface, and Cu/graphite superlattices. The study is limited to the basal plane of graphite because this is the graphite plane exposed to Cu and graphite surface energies and combined with the measured contact angles to evaluate the experimental adhesion energy.

  3. Dye removal from textile industrial effluents by adsorption on exfoliated graphite nanoplatelets: kinetic and equilibrium studies.

    PubMed

    Carvallho, Marilda N; da Silva, Karolyne S; Sales, Deivson C S; Freire, Eleonora M P L; Sobrinho, Maurício A M; Ghislandi, Marcos G

    2016-01-01

    The concept of physical adsorption was applied for the removal of direct and reactive blue textile dyes from industrial effluents. Commercial graphite nanoplatelets were used as substrate, and the quality of the material was characterized by atomic force and transmission electron microscopies. Dye/graphite nanoplatelets water solutions were prepared varying their pH and initial dye concentration. Exceptionally high values (beyond 100 mg/L) for adsorptive capacity of graphite nanoplatelets could be achieved without complicated chemical modifications, and equilibrium and kinetic experiments were performed. Our findings were compared with the state of the art, and compared with theoretical models. Agreement between them was satisfactory, and allowed us to propose novel considerations describing the interactions of the dyes and the graphene planar structure. The work highlights the important role of these interactions, which can govern the mobility of the dye molecules and the amount of layers that can be stacked on the graphite nanoplatelets surface. PMID:27148721

  4. Dye removal from textile industrial effluents by adsorption on exfoliated graphite nanoplatelets: kinetic and equilibrium studies.

    PubMed

    Carvallho, Marilda N; da Silva, Karolyne S; Sales, Deivson C S; Freire, Eleonora M P L; Sobrinho, Maurício A M; Ghislandi, Marcos G

    2016-01-01

    The concept of physical adsorption was applied for the removal of direct and reactive blue textile dyes from industrial effluents. Commercial graphite nanoplatelets were used as substrate, and the quality of the material was characterized by atomic force and transmission electron microscopies. Dye/graphite nanoplatelets water solutions were prepared varying their pH and initial dye concentration. Exceptionally high values (beyond 100 mg/L) for adsorptive capacity of graphite nanoplatelets could be achieved without complicated chemical modifications, and equilibrium and kinetic experiments were performed. Our findings were compared with the state of the art, and compared with theoretical models. Agreement between them was satisfactory, and allowed us to propose novel considerations describing the interactions of the dyes and the graphene planar structure. The work highlights the important role of these interactions, which can govern the mobility of the dye molecules and the amount of layers that can be stacked on the graphite nanoplatelets surface.

  5. Graphite Revisited

    NASA Astrophysics Data System (ADS)

    Draine, B. T.

    2016-11-01

    Laboratory measurements are used to constrain the dielectric tensor for graphite, from microwave to X-ray frequencies. The dielectric tensor is strongly anisotropic even at X-ray energies. The discrete dipole approximation is employed for accurate calculations of absorption and scattering by single-crystal graphite spheres and spheroids. For randomly oriented single-crystal grains, the so-called 1/3{--}2/3 approximation for calculating absorption and scattering cross sections is exact in the limit a/λ \\to 0 and provides better than ∼10% accuracy in the optical and UV even when a/λ is not small, but becomes increasingly inaccurate at infrared wavelengths, with errors as large as ∼40% at λ =10 μ {{m}}. For turbostratic graphite grains, the Bruggeman and Maxwell Garnett treatments yield similar cross sections in the optical and ultraviolet, but diverge in the infrared, with predicted cross sections differing by over an order of magnitude in the far-infrared. It is argued that the Maxwell Garnett estimate is likely to be more realistic, and is recommended. The out-of-plane lattice resonance of graphite near 11.5 μm may be observable in absorption with the MIRI spectrograph on James Webb Space Telescope. Aligned graphite grains, if present in the interstellar medium, could produce polarized X-ray absorption and polarized X-ray scattering near the carbon K edge.

  6. First-principles study on the adsorption properties of phenylalanine on carbon graphitic structures

    NASA Astrophysics Data System (ADS)

    Kang, Seoung-Hun; Kwon, Dae-Gyeon; Park, Sora; Kwon, Young-Kyun

    2015-12-01

    Using ab-initio density functional theory, we investigate the binding properties of phenylalanine, an amino acid, on graphitic carbon structures, such as graphene, nanotubes, and their modified structures. We focus especially on the effect of the adsorbate on the geometrical and the electronic structures of the absorbents. The phenylalanine molecule is found to bind weakly on pristine graphitic structures with a binding energy of 40-70 meV and not to change the electronic configuration of the graphitic structures, implying that the phenylalanine molecule may not be detected on pristine graphitic structures. On the other hand, the phenylalanine molecule exhibits a substantial increase in its binding energy up to ~2.60 eV on the magnesium-decorated boron-doped graphitic structures. We discover that the Fermi level of the system, which was shifted below the Dirac point of the graphitic structures due to p-doping by boron substitution, can be completely restored to the Dirac point because of the amino acid adsorption. This behavior implies that such modified structures can be utilized to detect phenylalanine molecules.

  7. SUMC/MPOS/HAL interface study

    NASA Technical Reports Server (NTRS)

    Saponaro, J. A.; Kosmala, A. L.

    1973-01-01

    The implementation of the HAL/S language on the IBM-360, and in particular the mechanization of its real time, I/O, and error control statements within the OS-360 environment is described. The objectives are twofold: (1) An analysis and general description of HAL/S real time, I/O, and error control statements and the structure required to mechanize these statements. The emphasis is on describing the logical functions performed upon execution of each HAL statement rather than defining whether it is accomplished by the compiler or operating system. (2) An identification of the OS-360 facilities required during execution of HAL/S code as implemented for the current HAL/S-360 compiler; and an evaluation of the aspects involved with interfacing HAL/S with the SUMC operating system utilizing either the HAL/S-360 compiler or by designing a new HAL/S-SUMC compiler.

  8. Energy corrugation in atomic-scale friction on graphite revisited by molecular dynamics simulations

    NASA Astrophysics Data System (ADS)

    Sun, Xiao-Yu; Qi, Yi-Zhou; Ouyang, Wengen; Feng, Xi-Qiao; Li, Qunyang

    2016-08-01

    Although atomic stick-slip friction has been extensively studied since its first demonstration on graphite, the physical understanding of this dissipation-dominated phenomenon is still very limited. In this work, we perform molecular dynamics (MD) simulations to study the frictional behavior of a diamond tip sliding over a graphite surface. In contrast to the common wisdom, our MD results suggest that the energy barrier associated lateral sliding (known as energy corrugation) comes not only from interaction between the tip and the top layer of graphite but also from interactions among the deformed atomic layers of graphite. Due to the competition of these two subentries, friction on graphite can be tuned by controlling the relative adhesion of different interfaces. For relatively low tip-graphite adhesion, friction behaves normally and increases with increasing normal load. However, for relatively high tip-graphite adhesion, friction increases unusually with decreasing normal load leading to an effectively negative coefficient of friction, which is consistent with the recent experimental observations on chemically modified graphite. Our results provide a new insight into the physical origins of energy corrugation in atomic scale friction.

  9. A study of void effects on the interlaminar shear strength of unidirectional graphite fiber reinforced composites

    NASA Technical Reports Server (NTRS)

    Bowles, Kenneth J.; Frimpong, Stephen

    1990-01-01

    A study was conducted to evaluate the effect of voids on the interlaminar shear strength (ILSS) of a polyimide matrix composite system. The graphite/PRM-15 composite was chosen for study because of the extensive amount of experience that has been amassed in the processing of this material. Composite densities and fiber contents of more than thirty different laminates were measured along with ILSS. Void contents were calculated and the void geometry and distribution were noted using microscopic techniques such as those used in metallography. It was found that there was a good empirical correlation between ILSS and composite density. The most acceptable relationship between the ILSS and density was found to be a power equation which closely resembles theoretically derived expressions. An increase in scatter in the strength data was observed as the void content increased. In laminates with low void content, the void appears to be more segregated in one area of the laminate. It was found that void free composites could be processed in matched metal die molds at pressures greater than 1.4 and less than 6.9 MPa.

  10. A GCMC simulation and experimental study of krypton adsorption/desorption hysteresis on a graphite surface.

    PubMed

    Prasetyo, Luisa; Horikawa, Toshihide; Phadungbut, Poomiwat; Johnathan Tan, Shiliang; Do, D D; Nicholson, D

    2016-09-15

    Adsorption isotherms and isosteric heats of krypton on a highly graphitized carbon black, Carbopack F, have been studied with a combination of Monte Carlo simulation and high-resolution experiments at 77K and 87K. Our investigation sheds light on the microscopic origin of the experimentally observed, horizontal hysteresis loop in the first layer, and the vertical hysteresis-loop in the second layer, and is found to be in agreement with our recent Monte Carlo simulation study (Diao et al., 2015). From detailed analysis of the adsorption isotherm, the latter is attributed to the compression of an imperfect solid-like state in the first layer, to form a hexagonally packed, solid-like state, immediately following the first order condensation of the second layer. To ensure that capillary condensation in the confined spaces between microcrystallites of Carbopack F does not interfere with these hysteresis loops, we carried out simulations of krypton adsorption in the confined space of a wedge-shaped pore that mimics the interstices between particles. These simulations show that, up to the third layer, any such interference is negligible.

  11. Bis(terpyridine)-based surface template structures on graphite: a force field and DFT study.

    PubMed

    Künzel, Daniela; Markert, Thomas; Gross, Axel; Benoit, David M

    2009-10-21

    Host-guest networks formed by ordered organic layers are promising candidates for applications in molecular storage and quantum computing. We have studied 2-dimensionally ordered surface template structures of bis(terpyridine)-derived molecules (BTPs) on graphite using force field and DFT methods and compared the results to recent experimental observations. In order to determine the force field best suited for surface calculations, bond lengths and angles, torsional potentials, adsorption and stacking energies of smaller aromatic molecules were calculated with different force fields (Compass, UFF, Dreiding and CVFF). Density functional perturbation theory calculations were used to study the intermolecular interactions between 3,3'-BTP molecules. Structural properties, adsorption energies and rotational barriers of the 3,3'-BTP surface structure and its host-guest systems with phthalocyanine (PcH(2)) or excess 3,3'-BTP as guest molecules have been addressed. In addition, STM images of oligopyridine and phthalocyanine molecules were simulated based on periodic and local density functional theory calculations.

  12. A GCMC simulation and experimental study of krypton adsorption/desorption hysteresis on a graphite surface.

    PubMed

    Prasetyo, Luisa; Horikawa, Toshihide; Phadungbut, Poomiwat; Johnathan Tan, Shiliang; Do, D D; Nicholson, D

    2016-09-15

    Adsorption isotherms and isosteric heats of krypton on a highly graphitized carbon black, Carbopack F, have been studied with a combination of Monte Carlo simulation and high-resolution experiments at 77K and 87K. Our investigation sheds light on the microscopic origin of the experimentally observed, horizontal hysteresis loop in the first layer, and the vertical hysteresis-loop in the second layer, and is found to be in agreement with our recent Monte Carlo simulation study (Diao et al., 2015). From detailed analysis of the adsorption isotherm, the latter is attributed to the compression of an imperfect solid-like state in the first layer, to form a hexagonally packed, solid-like state, immediately following the first order condensation of the second layer. To ensure that capillary condensation in the confined spaces between microcrystallites of Carbopack F does not interfere with these hysteresis loops, we carried out simulations of krypton adsorption in the confined space of a wedge-shaped pore that mimics the interstices between particles. These simulations show that, up to the third layer, any such interference is negligible. PMID:27343464

  13. Structure of the SDS/1-dodecanol surfactant mixture on a graphite surface: a computer simulation study.

    PubMed

    Domínguez, Hector

    2010-05-15

    Molecular dynamics simulations of mixtures of sodium dodecyl sulfate (SDS) and 1-dodecanol molecules on a graphite surface were carried out at low and high concentration to investigate the formation of aggregates on the solid plate. The simulations showed that at low concentration the surfactants were well adsorbed on the surface by forming layers structures or a hemicylinder aggregate for a slightly higher surfactant concentration whereas at the highest concentration the surfactants formed monolayer-like structures localized away from the graphite surface with a water bin between the monolayer and the graphite plate. Therefore, we obtained different arrays of those observed in recent simulations of pure SDS adsorbed on graphite at the same concentration reported in the literature. The unexpected water layer between the 1-dodecanol and the graphite surface, at the highest concentration, was explained in terms of the Hamaker constants. The present results suggest that the formation of aggregates on solid surfaces is a combined effect not only of the surfactant-surfactant and the surfactant-wall interactions but also of the surfactant concentration.

  14. Physical sputtering and chemical erosion studies on plain and lithiated graphite samples

    NASA Astrophysics Data System (ADS)

    Raju, Ramasamy; Racic, Marin; Lee, J.; Ruzic, David

    2007-11-01

    PFC candidate materials must have characteristics allowing for high temperature resilience while limiting deuterium recycling and core contamination from erosion. Graphite is a good choice of material for its high temperature tolerance. However, to reduce deuterium recycling issues of the graphite surface, lithium has been used extensively as a coating on PFC surfaces, though many issues on physical and chemical sputtering still remain. The Ion-surface InterAction Experiment (IIAX) measures the absolute, angular-resolved and self-sputtering yields of many particle/target combinations. Baseline sputtering yield of an untreated ATJ graphite sample is very close to the predicted TRIM estimates with an average of 0.06 +/- 0.02 atoms / ion. Preliminary experiments show that Li was evaporated and deposited with thickness of 320 nm on a Si wafer. Li deposition on a ATJ graphite sample was verified using scanning electron microscopy. Chemical sputtering analysis on a ATJ graphite sample is done, and results confirm the operation of the RGA. Trail experiments on relative levels of Li to C collected during sputtering are analyzed using TOF-SIMS. A deposition rate of 10 nm/min is the most relevant to NSTX. Additional experiments using varying thicknesses and deposition rates of Li are described.

  15. Exploring atomic-scale lateral forces in the attractive regime: a case study on graphite (0001)

    NASA Astrophysics Data System (ADS)

    Baykara, Mehmet Z.; Schwendemann, Todd C.; Albers, Boris J.; Pilet, Nicolas; Mönig, Harry; Altman, Eric I.; Schwarz, Udo D.

    2012-10-01

    A non-contact atomic force microscopy-based method has been used to map the static lateral forces exerted on an atomically sharp Pt/Ir probe tip by a graphite surface. With measurements carried out at low temperatures and in the attractive regime, where the atomic sharpness of the tip can be maintained over extended time periods, the method allows the quantification and directional analysis of lateral forces with piconewton and picometer resolution as a function of both the in-plane tip position and the vertical tip-sample distance, without limitations due to a finite contact area or to stick-slip-related sudden jumps of tip apex atoms. After reviewing the measurement principle, the data obtained in this case study are utilized to illustrate the unique insight that the method offers. In particular, the local lateral forces that are expected to determine frictional resistance in the attractive regime are found to depend linearly on the normal force for small tip-sample distances.

  16. Electronic structure of intercalated graphite studied by soft-x-ray-emission spectroscopy

    NASA Astrophysics Data System (ADS)

    Gu, Guojiang; Schnatterly, S. E.

    1995-08-01

    Carbon K soft-x-ray-emission (SXE) spectra of highly ordered pyrolytic graphite (HOPG) and intercalated graphite with both donor (LiC6) and acceptor (FeCl3) doping are presented and compared. A numerical calculation using partially inverted initial states is carried out and models are constructed to fit these data using this method. It is shown that this approach is able to describe accurately the enhancement of the SXE spectrum near the Fermi energy for LiC6. In the case of graphite intercalated with FeCl3, the model also produces an enhanced Fermi edge while the data show no difference from the spectrum of HOPG. This aspect of the spectra of acceptor compounds is not at present understood.

  17. Fluorine interaction with defects on graphite surface by a first-principles study

    NASA Astrophysics Data System (ADS)

    Wang, Song; Xuezhi, Ke; Zhang, Wei; Gong, Wenbin; Huai, Ping; Zhang, Wenqing; Zhu, Zhiyuan

    2014-02-01

    The interaction between fluorine atom and graphite surface has been investigated in the framework of density functional theory. Due to the consideration of molten salt reactor system, only carbon adatoms and vacancies are chemical reactive for fluorine atoms. Fluorine adsorption on carbon adatom will enhance the mobility of carbon adatom. Carbon adatom can also be removed easily from graphite surface in form of CF2 molecule, explaining the formation mechanism of CF2 molecule in previous experiment. For the interaction between fluorine and vacancy, we find that fluorine atoms which adsorb at vacancy can hardly escape. Both pristine surface and vacancy are impossible for fluorine to penetrate due to the high penetration barrier. We believe our result is helpful to understand the compatibility between graphite and fluorine molten salt in molten salt reactor system.

  18. A Study on 3-Body Abrasive Wear Behaviour of Aluminium 8011 / Graphite Metal Matrix Composite

    NASA Astrophysics Data System (ADS)

    Latha Shankar, B.; Anil, K. C.; Patil, Rahul

    2016-09-01

    Metals and alloys have found their vital role in many applications like structural, corrosive, tribological, etc., in engineering environment. The alloys/composites having high strength to low weight ratio have gained attention of many researchers recently. In this work, graphite reinforced Aluminium 8011 metal matrix composite was prepared by conventional stir casting route, by varying the weight % of reinforcement. Uniform distribution of Graphite in matrix alloy was confirmed by optical micrographs. Prepared composite specimens were subjected to 3-body abrasive testing by varying applied load and time, the silica particles of 400 grit size were used as abrasive particles. It was observed that with the increase of weight% of Graphite the wear resistance of composite was also increasing and on comparison it was found that reinforced composite gives good wear resistance than base alloy.

  19. Molecular dynamics simulation study of water adsorption on hydroxylated graphite surfaces.

    PubMed

    Picaud, Sylvain; Collignon, B; Hoang, Paul N M; Rayez, J C

    2006-04-27

    In this paper, we present results from molecular dynamic simulations devoted to the characterization of the interaction between water molecules and hydroxylated graphite surfaces considered as models for surfaces of soot emitted by aircraft. The hydroxylated graphite surfaces are modeled by anchoring several OH groups on an infinite graphite plane. The molecular dynamics simulations are based on a classical potential issued from quantum chemical calculations. They are performed at three temperatures (100, 200, and 250 K) to provide a view of the structure and dynamics of water clusters on the model soot surface. These simulations show that the water-OH sites interaction is quite weak compared to the water-water interaction. This leads to the clustering of the water molecules above the surface, and the corresponding water aggregate can only be trapped by the OH sites when the temperature is sufficiently low, or when the density of OH sites is sufficiently high.

  20. Laboratory simulation and modeling of size, shape distributed interstellar graphite dust analogues: A comparative study

    NASA Astrophysics Data System (ADS)

    Boruah, Manash J.; Gogoi, Ankur; Ahmed, Gazi A.

    2016-06-01

    The computation of the light scattering properties of size and shape distributed interstellar graphite dust analogues using discrete dipole approximation (DDA) is presented. The light scattering properties of dust particles of arbitrary shapes having sizes ranging from 0.5 to 5.0 μm were computed using DDSCAT 7.3.0 software package and an indigenously developed post-processing tool for size and shape averaging. In order to model realistic samples of graphite dust and compute their light scattering properties using DDA, different target geometries were generated to represent the graphite particle composition in terms of surface smoothness, surface roughness and aggregation or their combination, for using as the target for DDSCAT calculations. A comparison of the theoretical volume scattering function at 543.5 nm and 632.8 nm incident wavelengths with laboratory simulation is also presented in this paper.

  1. A structural study of solid electrolyte interface on negative electrode of lithium-Ion battery by electron microscopy.

    PubMed

    Matsushita, Tadashi; Watanabe, Jiro; Nakao, Tatsuya; Yamashita, Seiichi

    2014-11-01

    For the last decades, the performance of the lithium-ion battery (LIB) has been significantly improved and its applications have been expanding rapidly. However, its performance has yet to be enhanced.In the lithium-ion battery development, it is important to elucidate the electrode structure change in detail during the charge and discharge cycling. In particular, solid electrolyte interface (SEI) formed by decomposition of the electrolytes on the graphite negative electrode surface should play an important role for battery properties. Therefore, it is essential to control the structure and composition of SEI to improve the battery performance. Here, we conducted a scanning electron microscope (SEM) and transmission electron microscope (TEM) study to elucidate the structures of the SEI during the charge and discharge process using LiNi1/3Co1/3Mn1/3O2 [1] cathode and graphite anode. [2] Since SEI is a lithium-containing compound with high activity, it was observed without being exposed to the atmosphere. The electrodes including SEI were sampled after dismantling batteries with cutoff voltages of 3V and 4.2V for the charge process and 3V for the discharge process. Fig.1 shows SEM images of the graphite electrode surface during the charge and discharge process. The change of the SEI structure during the process was clearly observed. Further, TEM images showed that the SEI grew thicker during the charge process and becomes thinner when discharged. These results with regard to the reversible SEI structure could give a new insight for the battery development.jmicro;63/suppl_1/i21/DFU056F1F1DFU056F1Fig. 1.SEM images of the graphite electrode surface:(a) before charge process;(b) with charge-cutoff voltage of 3.0V; (c) with charge-cutoff voltage of 4.2V; (d) with discharge-cutoff voltage of 3.0V.

  2. In situ scanning tunneling microscopy studies of the SEI formation on graphite electrodes for Li+-ion batteries

    NASA Astrophysics Data System (ADS)

    Seidl, Lukas; Martens, Slađana; Ma, Jiwei; Stimming, Ulrich; Schneider, Oliver

    2016-07-01

    The SEI-formation on graphitic electrodes operated as an Li+-ion battery anode in a standard 1 M LiPF6 EC/DMC (1 : 1) electrolyte has been studied in situ by EC-STM. Two different modes of in situ study were applied, one, which allowed to follow topographic and crystallographic changes (solvent cointercalation, graphite exfoliation, SEI precipitation on the HOPG basal plane) of the graphite electrode during SEI-formation, and the second, which gave an insight into the SEI precipitation on the HOPG basal plane in real time. From the in situ EC-STM studies, not only conclusions about the SEI-topography could be drawn, but also about the formation mechanism and the chemical composition, which strongly depend on the electrode potential. It was shown that above 1.0 V vs. Li/Li+ the SEI-formation is still reversible, since the molecular structure of the solvent molecules remains intact during an initial reduction step. During further reduction, the molecular structures of the solvents are destructed, which causes the irreversible charge loss. The STM studies were completed by electrochemical methods, like cyclic voltammetry, the potentiostatic intermittent titration technique and charge/discharge tests of MCMB electrodes.

  3. High-temperature x-ray diffraction study of coating-substrate compatibility in yttria-coated graphite

    SciTech Connect

    Carpenter, D.A.

    1985-01-18

    A high-temperature x-ray diffraction (XRD) study of the compatibility of yttria (Y/sub 2/O/sub 3/) coatings on graphite substrates showed a near-surface reaction rate consistent with an autocatalytic model. The model was more appropriate for thicker coatings than for thin ones. The reaction product, yttrium carbide (YC/sub 2/), transformed from face-centered cubic to tetragonal during the reaction. The phase stability was dependent upon carbon stoichiometry.

  4. Study of GaAs-oxide interface by transient capacitance spectroscopy - Discrete energy interface states

    NASA Technical Reports Server (NTRS)

    Kamieniecki, E.; Kazior, T. E.; Lagowski, J.; Gatos, H. C.

    1980-01-01

    Interface states and bulk GaAs energy levels were simultaneously investigated in GaAs MOS structures prepared by anodic oxidation. These two types of energy levels were successfully distinguished by carrying out a comparative analysis of deep level transient capacitance spectra of the MOS structures and MS structures prepared on the same samples of epitaxially grown GaAs. The identification and study of the interface states and bulk levels was also performed by investigating the transient capacitance spectra as a function of the filling pulse magnitude. It was found that in the GaAs-anodic oxide interface there are states present with a discrete energy rather than with a continuous energy distribution. The value of the capture cross section of the interface states was found to be 10 to the 14th to 10 to the 15th/sq cm, which is more accurate than the extremely large values of 10 to the -8th to 10 to the -9th/sq cm reported on the basis of conductance measurements.

  5. Experimental Study of the Effect of Graphite Dispersion on the Heat Transfer Phenomena in a Reactor Cavity Cooling System

    SciTech Connect

    Vaghetto, Rodolfo; Capone, Luigi; Hassan, Yassin A

    2011-05-31

    An experimental activity was performed to observe and study the effects of graphite dispersion and deposition on thermal-hydraulic phenomena in a reactor cavity cooling system (RCCS). The small-scale RCCS experimental facility (16.5 x 16.5 x 30.4 cm) used for this activity represents half of the reactor cavity with an electrically heated vessel. Water flowing through five vertical pipes removes the heat produced in the vessel and releases it into the environment by mixing with cold water in a large tank. The particle image velocimetry technique was used to study the velocity field of the air inside the cavity. A set of 52 thermocouples was installed in the facility to monitor the temperature profiles of the vessel, pipe walls, and air. Ten grams of a fine graphite powder (average particle size 2 m) was injected into the cavity through a spraying nozzle placed at the bottom of the vessel. The temperatures and air velocity field were recorded and compared with the measurements obtained before the graphite dispersion, showing a decrease of the temperature surfaces that was related to an increase in their emissivity. The results contribute to the understanding of RCCS capability in an accident scenario.

  6. Physicochemical Characterization, and Relaxometry Studies of Micro-Graphite Oxide, Graphene Nanoplatelets, and Nanoribbons

    PubMed Central

    Paratala, Bhavna S.; Jacobson, Barry D.; Kanakia, Shruti; Francis, Leonard Deepak; Sitharaman, Balaji

    2012-01-01

    The chemistry of high-performance magnetic resonance imaging contrast agents remains an active area of research. In this work, we demonstrate that the potassium permanganate-based oxidative chemical procedures used to synthesize graphite oxide or graphene nanoparticles leads to the confinement (intercalation) of trace amounts of Mn2+ ions between the graphene sheets, and that these manganese intercalated graphitic and graphene structures show disparate structural, chemical and magnetic properties, and high relaxivity (up to 2 order) and distinctly different nuclear magnetic resonance dispersion profiles compared to paramagnetic chelate compounds. The results taken together with other published reports on confinement of paramagnetic metal ions within single-walled carbon nanotubes (a rolled up graphene sheet) show that confinement (encapsulation or intercalation) of paramagnetic metal ions within graphene sheets, and not the size, shape or architecture of the graphitic carbon particles is the key determinant for increasing relaxivity, and thus, identifies nano confinement of paramagnetic ions as novel general strategy to develop paramagnetic metal-ion graphitic-carbon complexes as high relaxivity MRI contrast agents. PMID:22685555

  7. Physicochemical characterization, and relaxometry studies of micro-graphite oxide, graphene nanoplatelets, and nanoribbons.

    PubMed

    Paratala, Bhavna S; Jacobson, Barry D; Kanakia, Shruti; Francis, Leonard Deepak; Sitharaman, Balaji

    2012-01-01

    The chemistry of high-performance magnetic resonance imaging contrast agents remains an active area of research. In this work, we demonstrate that the potassium permanganate-based oxidative chemical procedures used to synthesize graphite oxide or graphene nanoparticles leads to the confinement (intercalation) of trace amounts of Mn(2+) ions between the graphene sheets, and that these manganese intercalated graphitic and graphene structures show disparate structural, chemical and magnetic properties, and high relaxivity (up to 2 order) and distinctly different nuclear magnetic resonance dispersion profiles compared to paramagnetic chelate compounds. The results taken together with other published reports on confinement of paramagnetic metal ions within single-walled carbon nanotubes (a rolled up graphene sheet) show that confinement (encapsulation or intercalation) of paramagnetic metal ions within graphene sheets, and not the size, shape or architecture of the graphitic carbon particles is the key determinant for increasing relaxivity, and thus, identifies nano confinement of paramagnetic ions as novel general strategy to develop paramagnetic metal-ion graphitic-carbon complexes as high relaxivity MRI contrast agents.

  8. Lifetime experimental study of graphite cathode for relativistic backward wave oscillator

    NASA Astrophysics Data System (ADS)

    Wu, Ping; Sun, Jun; Chen, Changhua

    2016-07-01

    Graphite cathodes are widely used due to their good emission properties, especially their long lifetime. Some previous papers have researched their lifetime under certain conditions and uncovered some important phenomena. This paper is dedicated to research the lifetime of the graphite cathode under higher power. In the lifetime test, the voltage and current amplitudes are about 970 kV and 9.7 kA, respectively. The repetition rate is 20 Hz. An X-band relativistic backward wave oscillator is used to generate high power microwave by utilizing the electron beam energy. The experimental results demonstrate that the emission property of the graphite cathode remains quite stable during 105 pulses, despite some slight deteriorations regarding the beam and microwave parameters. The macroscopic morphology change of the cathode blade due to material evaporation is observed by a laser microscope. The mass loss of the graphite cathode is about 60 μg/C. Meanwhile, the observation by a scanning electron microscope uncovers that the original numerous flaky micro-structures are totally replaced by a relatively smooth surface at the mid region of the cathode blade and a large number of new micro-protrusions at the blade edges during the lifetime test.

  9. Combined study of the ground and unoccupied electronic states of graphite by electron energy-loss spectroscopy

    SciTech Connect

    Feng, Zhenbao; Löffler, Stefan; Eder, Franz; Meyer, Jannik C.; Su, Dangsheng; Schattschneider, Peter

    2013-11-14

    Both the unoccupied and ground electronic states of graphite have been studied by electron energy-loss spectroscopy in a transmission electron microscope. Electron energy-loss near-edge structures of the K-edge of carbon have been investigated in detail for scattering angles from 0 to 2.8 mrad. The π{sup *} and σ{sup *} components were separated. The angular and energy dependences of the π{sup *} and σ{sup *} structures were in fair agreement with theory. Electron energy loss Compton spectra of graphite were recorded at scattering angles from 45 to 68 mrad. One Compton scattering spectrum was obtained in 1 min compared with several hours or days using photons. The contributions of core electrons were calculated by the exact Hartree-Slater method in the Compton scattering region. The electron Compton profile for graphite is in good agreement with other conventional Compton profile measurements, as well as with theory, thus establishing the validity of the technique.

  10. Is there a stable commensurate solid phase in the second 4He layer on graphite? - path integral Monte Carlo study

    NASA Astrophysics Data System (ADS)

    Ahn, Jeonghwan; Lee, Hoonkyung; Kwon, Yongkyung

    2015-03-01

    Existence of a stable commensurate structure in the second 4He layer on graphite has been a subject of intensive experimental and theoretical studies because of its implication in the possible realization of two-dimensional supersolidity. Earlier path-integral Monte Carlo (PIMC) calculations of Pierce and Manousakis predicted a stable C4/7 commensurate structure above the first-layer 4He atoms fixed at triangular lattice sites, but Corboz et al. later showed that no commensurate phase was stable when quantum dynamics of the first-layer 4He atoms was incorporated in the PIMC calculations. On the other hand, recent heat capacity measurements of Nakamura et al. provided a strong evidence for a commensurate solid in the second 4He layer over an extended density range. Motivated by this, we have performed new PIMC calculations for the second helium layer on graphite. Unlike previous PIMC calculations where a laterally-averaged one-dimensional substrate potential was used, we here employ an anisotropic 4He-graphite potential described by a sum of the 4He-C pair potentials. With this fully-corrugated substrate potential we make more accurate description of quantum dynamics of the first-layer 4He atoms and analyze its effects on the phase diagram of the second layer.

  11. Ultra-high vacuum scanning tunneling microscopy and theoretical studies of 1-halohexane monolayers on graphite

    PubMed Central

    Müller, Thomas; Werblowsky, Tova L.; Florio, Gina M.; Berne, Bruce J.; Flynn, George W.

    2005-01-01

    A simple model system for the 2D self-assembly of functionalized organic molecules on surfaces was examined in a concerted experimental and theoretical effort. Monolayers of 1-halohexanes were formed through vapor deposition onto graphite surfaces in ultrahigh vacuum. Low-temperature scanning tunneling microscopy allowed the molecular conformation, orientation, and monolayer crystallographic parameters to be determined. Essentially identical noncommensurate monolayer structures were found for all 1-halohexanes, with differences in image contrast ascribed mainly to electronic factors. Energy minimizations and molecular dynamics simulations reproduced structural parameters of 1-bromohexane monolayers quantitatively. An analysis of interactions driving the self-assembly process revealed the crucial role played by small but anisotropic electrostatic forces associated with the halogen substituent. While alkyl chain dispersion interactions drive the formation of a close-packed adsorbate monolayer, electrostatic headgroup forces are found to compete successfully in the control of both the angle between lamella and backbone axes and the angle between surface and backbone planes. This competition is consistent with energetic tradeoffs apparent in adsorption energies measured in earlier temperature-programmed desorption studies. In accordance with the higher degree of disorder observed in scanning tunneling microscopy images of 1-fluorohexane, theoretical simulations show that electrostatic forces associated with the fluorine substituent are sufficiently strong to upset the delicate balance of interactions required for the formation of an ordered monolayer. The detailed dissection of the driving forces for self-assembly of these simple model systems is expected to aid in the understanding of the more complex self-assembly processes taking place in the presence of solvent. PMID:15758073

  12. High speed hydrogen/graphite interaction

    NASA Technical Reports Server (NTRS)

    Kelly, A. J.; Hamman, R.; Sharma, O. P.; Harrje, D. T.

    1974-01-01

    Various aspects of a research program on high speed hydrogen/graphite interaction are presented. Major areas discussed are: (1) theoretical predictions of hydrogen/graphite erosion rates; (2) high temperature, nonequilibrium hydrogen flow in a nozzle; and (3) molecular beam studies of hydrogen/graphite erosion.

  13. Thermally exfoliated graphite oxide

    NASA Technical Reports Server (NTRS)

    Prud'Homme, Robert K. (Inventor); Aksay, Ilhan A. (Inventor); Abdala, Ahmed (Inventor)

    2011-01-01

    A modified graphite oxide material contains a thermally exfoliated graphite oxide with a surface area of from about 300 sq m/g to 2600 sq m/g, wherein the thermally exfoliated graphite oxide displays no signature of the original graphite and/or graphite oxide, as determined by X-ray diffraction.

  14. Cryotribology of diamond and graphite

    SciTech Connect

    Iwasa, Yukikazu; Ashaboglu, A.F.; Rabinowicz, E.R.

    1996-12-31

    An experimental study was carried out on the tribological behavior of materials of interest in cryogenic applications, focusing on diamond and graphite. Both natural diamond (referred in the text as diamond) and chemical-vapor-deposition (CVD) diamond (CVD-diamond) were used. The experiment was carried out using a pin-on-disk tribometer capable of operating at cryogenic temperatures, from 4.2 to 293 K. Two basic scenarios of testing were used: (1) frictional coefficient ({mu}) vs velocity (v) characteristics at constant temperatures; (2) {mu} vs temperature (T) behavior at fixed sliding speeds. For diamond/CVD-diamond, graphite/CVD-diamond, stainless steel/CVD-diamond pairs, {mu}`s are virtually velocity independent. For each of diamond/graphite, alumina/graphite, and graphite/graphite pairs, the {partial_derivative}{mu}/{partial_derivative}v characteristic is favorable, i.e., positive. For diamond/CVD-diamond and graphite/CVD-diamond pairs, {mu}`s are nearly temperature independent between in the range 77 - 293 K. Each {mu} vs T plot for pin materials sliding on graphite disks has a peak at a temperature in the range 100 - 200 K.

  15. High Resolution Angle Resolved Photoemission Studies on Quasi-Particle Dynamics in Graphite

    SciTech Connect

    Leem, C.S.

    2010-06-02

    We obtained the spectral function of the graphite H point using high resolution angle resolved photoelectron spectroscopy (ARPES). The extracted width of the spectral function (inverse of the photo-hole lifetime) near the H point is approximately proportional to the energy as expected from the linearly increasing density of states (DOS) near the Fermi energy. This is well accounted by our electron-phonon coupling theory considering the peculiar electronic DOS near the Fermi level. And we also investigated the temperature dependence of the peak widths both experimentally and theoretically. The upper bound for the electron-phonon coupling parameter is 0.23, nearly the same value as previously reported at the K point. Our analysis of temperature dependent ARPES data at K shows that the energy of phonon mode of graphite has much higher energy scale than 125K which is dominant in electron-phonon coupling.

  16. A study of the effect of selected material properties on the ablation performance of artificial graphite

    NASA Technical Reports Server (NTRS)

    Maahs, H. G.

    1972-01-01

    Eighteen material properties were measured on 45 different, commercially available, artificial graphites. Ablation performance of these same graphites were also measured in a Mach 2 airstream at a stagnation pressure of 5.6 atm. Correlations were developed, where possible, between pairs of the material properties. Multiple regression equations were then formulated relating ablation performance to the various material properties, thus identifying those material properties having the strongest effect on ablation performance. These regression equations reveal that ablation performance in the present test environment depends primarily on maximum grain size, density, ash content, thermal conductivity, and mean pore radius. For optimization of ablation performance, grain size should be small, ash content low, density and thermal conductivity high, and mean pore radius large.

  17. Bridged graphite oxide materials

    NASA Technical Reports Server (NTRS)

    Herrera-Alonso, Margarita (Inventor); McAllister, Michael J. (Inventor); Aksay, Ilhan A. (Inventor); Prud'homme, Robert K. (Inventor)

    2010-01-01

    Bridged graphite oxide material comprising graphite sheets bridged by at least one diamine bridging group. The bridged graphite oxide material may be incorporated in polymer composites or used in adsorption media.

  18. On the way to fullerenes: Molecular dynamics study of the curling and closure of graphitic ribbons

    SciTech Connect

    Robertson, D.H.; Brenner, D.W.; White, C.T.

    1992-07-23

    The short-time behavior of isolated graphitic ribbons is simulated at high temperature using a model hydrocarbon potential. These ribbons show large instantaneous deviations from planarity that often result in the formation of open-ended hollow carbon structures representing good fullerene precursors. While confirming the importance of pentagon formation in the production of these precursors, these results also point to the central role of relatively high temperatures in these processes. 20 refs., 4 figs., 1 tab.

  19. Styrene-terminated polysulfone oligomers as matrix material for graphite reinforced composites: An initial study

    NASA Technical Reports Server (NTRS)

    Garcia, Dana; Bowles, Kenneth J.; Vannucci, Raymond D.

    1987-01-01

    Styrene terminated polysulfone oligomers are part of an oligomeric class of compounds with end groups capable of thermal polymerization. These materials can be used as matrices for graphite reinforced composites. The initial evaluation of styrene terminated polysulfone oligomer based composites are summarized in terms of fabrication methods, and mechanical and environmental properties. In addition, a description and evaluation is provided of the NASA/Industry Fellowship Program for Technology Transfer.

  20. Thermal Pyrolytic Graphite Enhanced Components

    NASA Technical Reports Server (NTRS)

    Hardesty, Robert E. (Inventor)

    2015-01-01

    A thermally conductive composite material, a thermal transfer device made of the material, and a method for making the material are disclosed. Apertures or depressions are formed in aluminum or aluminum alloy. Plugs are formed of thermal pyrolytic graphite. An amount of silicon sufficient for liquid interface diffusion bonding is applied, for example by vapor deposition or use of aluminum silicon alloy foil. The plugs are inserted in the apertures or depressions. Bonding energy is applied, for example by applying pressure and heat using a hot isostatic press. The thermal pyrolytic graphite, aluminum or aluminum alloy and silicon form a eutectic alloy. As a result, the plugs are bonded into the apertures or depressions. The composite material can be machined to produce finished devices such as the thermal transfer device. Thermally conductive planes of the thermal pyrolytic graphite plugs may be aligned in parallel to present a thermal conduction path.

  1. Structural Arrangement Trade Study. Volume 1: Reusable Hydrogen Composite Tank System (RHCTS) and Graphite Composite Primary Structures (GCPS). Executive summary

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This volume is the first of a three volume set that discusses the structural arrangement trade study plan that will identify the most suitable configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 deg inclination. The Reusable Hydrogen Composite Tank System (RHCTS), and Graphite Composite Primary Structures most suitable for intertank, wing and thrust structures are identified. This executive summary presents the trade study process, the selection process, requirements used, analysis performed and data generated. Conclusions and recommendations are also presented.

  2. Ferric chloride graphite intercalation compounds prepared from graphite fluoride

    NASA Technical Reports Server (NTRS)

    Hung, Ching-Cheh

    1994-01-01

    The reaction between graphite fluoride and ferric chloride was observed in the temperature range of 300 to 400 C. The graphite fluorides used for this reaction have an sp3 electronic structure and are electrical insulators. They can be made by fluorinating either carbon fibers or powder having various degrees of graphitization. Reaction is fast and spontaneous and can occur in the presence of air. The ferric chloride does not have to be predried. The products have an sp2 electronic structure and are electrical conductors. They contain first stage FeCl3 intercalated graphite. Some of the products contain FeCl2*2H2O, others contain FeF3 in concentrations that depend on the intercalation condition. The graphite intercalated compounds (GIC) deintercalated slowly in air at room temperature, but deintercalated quickly and completely at 370 C. Deintercalation is accompanied by the disappearing of iron halides and the formation of rust (hematite) distributed unevenly on the fiber surface. When heated to 400 C in pure N2 (99.99 vol %), this new GIC deintercalates without losing its molecular structure. However, when the compounds are heated to 800 C in quartz tube, they lost most of its halogen atoms and formed iron oxides (other than hematite), distributed evenly in or on the fiber. This iron-oxide-covered fiber may be useful in making carbon-fiber/ceramic-matrix composites with strong bonding at the fiber-ceramic interface.

  3. Structural arrangement trade study. Volume 3: Reusable Hydrogen Composite Tank System (RHCTS) and Graphite Composite Primary Structures (GCPS). Addendum

    NASA Technical Reports Server (NTRS)

    1995-01-01

    This volume is the third of a 3 volume set that addresses the structural trade study plan that will identify the most suitable structural configuration for an SSTO winged vehicle capable of delivering 25,000 lbs to a 220 nm circular orbit at 51.6 deg inclination. The most suitable Reusable Hydrogen Composite Tank System (RHCTS), and Graphite Composite Tank System (GCPS) composite materials for intertank, wing and thrust structures are identified. Vehicle resizing charts, selection criteria and back-up charts, parametric costing approach and the finite element method analysis are discussed.

  4. Airborne Precision Spacing for Dependent Parallel Operations Interface Study

    NASA Technical Reports Server (NTRS)

    Volk, Paul M.; Takallu, M. A.; Hoffler, Keith D.; Weiser, Jarold; Turner, Dexter

    2012-01-01

    This paper describes a usability study of proposed cockpit interfaces to support Airborne Precision Spacing (APS) operations for aircraft performing dependent parallel approaches (DPA). NASA has proposed an airborne system called Pair Dependent Speed (PDS) which uses their Airborne Spacing for Terminal Arrival Routes (ASTAR) algorithm to manage spacing intervals. Interface elements were designed to facilitate the input of APS-DPA spacing parameters to ASTAR, and to convey PDS system information to the crew deemed necessary and/or helpful to conduct the operation, including: target speed, guidance mode, target aircraft depiction, and spacing trend indication. In the study, subject pilots observed recorded simulations using the proposed interface elements in which the ownship managed assigned spacing intervals from two other arriving aircraft. Simulations were recorded using the Aircraft Simulation for Traffic Operations Research (ASTOR) platform, a medium-fidelity simulator based on a modern Boeing commercial glass cockpit. Various combinations of the interface elements were presented to subject pilots, and feedback was collected via structured questionnaires. The results of subject pilot evaluations show that the proposed design elements were acceptable, and that preferable combinations exist within this set of elements. The results also point to potential improvements to be considered for implementation in future experiments.

  5. Si nanocrystals and nanocrystal interfaces studied by positron annihilation

    NASA Astrophysics Data System (ADS)

    Kujala, J.; Slotte, J.; Tuomisto, F.; Hiller, D.; Zacharias, M.

    2016-10-01

    Si nanocrystals embedded in a SiO 2 matrix were studied with positron annihilation and photoluminescence spectroscopies. Analysis of the S- and W-parameters for the sample annealed at 800 °C reveals a positron trap at the interface between the amorphous nanodots and the surrounding matrix. Another trap state is observed in the 1150 °C heat treated samples where nanodots are in a crystalline form. Positrons are most likely trapped to defects related to dangling bonds at the surface of the nanocrystals. Passivation of the samples results on one hand in the decrease of the S-parameter implying a decrease in the open volume of the interface state and, on the other hand, in the strengthening of the positron annihilation signal from the interface. The intensity of the photoluminescence signal increases with the formation of the nanocrystals. Passivation of samples strengthens the photoluminescence signal, further indicating a successful deactivation of luminescence quenching at the nanocrystal surface. Strengthening of the positron annihilation signal and an increase in the photoluminescence intensity in passivated silicon nanocrystals suggests that the positron trap at the interface does not contribute to a significant extent to the exciton recombination in the nanocrystals.

  6. Insights from the study of high-temperature interface superconductivity.

    PubMed

    Pereiro, J; Bollinger, A T; Logvenov, G; Gozar, A; Panagopoulos, C; Bozović, I

    2012-10-28

    A brief overview is given of the studies of high-temperature interface superconductivity based on atomic-layer-by-layer molecular beam epitaxy (ALL-MBE). A number of difficult materials science and physics questions have been tackled, frequently at the expense of some technical tour de force, and sometimes even by introducing new techniques. ALL-MBE is especially suitable to address questions related to surface and interface physics. Using this technique, it has been demonstrated that high-temperature superconductivity can occur in a single copper oxide layer-the thinnest superconductor known. It has been shown that interface superconductivity in cuprates is a genuine electronic effect-it arises from charge transfer (electron depletion and accumulation) across the interface driven by the difference in chemical potentials rather than from cation diffusion and mixing. We have also understood the nature of the superconductor-insulator phase transition as a function of doping. However, a few important questions, such as the mechanism of interfacial enhancement of the critical temperature, are still outstanding. PMID:22987034

  7. Nonlinear optical studies of aqueous interfaces, polymers, and nanowires

    NASA Astrophysics Data System (ADS)

    Onorato, Robert Michael

    Understanding the structure and composition of aqueous interfaces is one of the most important current problems in modern science. Aqueous interfaces are ubiquitous in Nature, ranging from aerosols to cellular structures. Aerosol chemistry is presently the most significant unknown factor in predicting climate change, and an understanding of the chemistry that occurs at aerosol interfaces would significantly improve climate models. Similarly, the nature of aqueous biological interfaces has a profound effect on the structure and function of proteins and other biological structures. Despite the importance of these problems, aqueous interfaces remain incompletely understood due to the challenges of experimentally probing them. Recent experimental and theoretical results have firmly established the existence of enhanced concentrations of selected ions at the air/water interface. In this dissertation, I use an interface-specific technique, UV second harmonic generation (SHG), to further investigate the adsorption of ions to the air/water interface and to extend the study of ion adsorption towards more biologically relevant systems, alcohol/water interfaces. In Chapter 2, I describe resonant UV-SHG studies of the strongly chaotropic thiocyanate ion adsorbed to the interface formed by water and a monolayer of dodecanol, wherein the Gibbs free energy of adsorption was determined to be -6.7 +/- 1.1 and -6.3 +/- 1.8 kJ/mol for sodium and potassium thiocyanate, respectively, coincident with the value determined for thiocyanate at the air/water interface. Interestingly, at concentrations near and above 4 M, the resonant SHG signal increases discontinuously, indicating a structural change in the interfacial region. Recent experimental and theoretical work has demonstrated that the adsorption of bromide is particularly important for chemical reactions on atmospheric aerosols, including the depletion of ozone. In Chapter 3, UV-SHG resonant with the bromide charge

  8. Small-angle x-ray scattering of intercalation compounds of graphite, fluorographite, and graphite oxide

    SciTech Connect

    Perevozkin, V.Yu.; Yur'ev, G.S.; Nazarov, A.S.; Danilenko, A.M.; Lisitsa, V.V.; Makotchenko, V.G.; Paasonen, V.M.; Yakovlev, I.I.

    1988-05-01

    Graphite intercalation compounds are interesting as cathode materials in chemical current sources and catalysts and are good conductors of electricity. Small-angle x-ray scattering was studied on natural graphite, intercalation compounds of fluorinated graphite, graphite oxide, and the products of reduction of the compounds. It was shown that scattering takes place in regions with a lower density and the size of the density inhomogeneities was determined.

  9. Influence of alkyl chain length and anion species on ionic liquid structure at the graphite interface as a function of applied potential.

    PubMed

    Li, Hua; Wood, Ross J; Endres, Frank; Atkin, Rob

    2014-07-16

    Atomic force microscopy (AFM) force measurements elucidate the effect of cation alkyl chain length and the anion species on ionic liquid (IL) interfacial structure at highly ordered pyrolytic graphite (HOPG) surfaces as a function of potential. Three ILs are examined: 1-hexyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([HMIM] FAP), 1-ethyl-3-methylimidazolium tris(pentafluoroethyl)trifluorophosphate ([EMIM] FAP), and 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([EMIM] TFSA). The step-wise force-distance profiles indicate the ILs adopt a multilayered morphology near the surface. When the surface is biased positively or negatively versus Pt quasireference electrode, both the number of steps, and the force required to rupture each step increase, indicating stronger interfacial structure. At all potentials, push-through forces for [HMIM] FAP are the highest, because the long alkyl chain results in strong cohesive interactions between cations, leading to well-formed layers that resist the AFM tip. The most layers are observed for [EMIM] FAP, because the C2 chains are relatively rigid and the dimensions of the cation and anion are similar, facilitating neat packing. [EMIM] TFSA has the smallest push-through forces and fewest layers, and thus the weakest interfacial structure. Surface-tip attractive forces are measured for all ILs. At the same potential, the attractions are the strongest for [EMIM] TFSA and the weakest for [HMIM] FAP because the interfacial layers are better formed for the longer alkyl chain cation. This means interfacial forces are stronger, which masks the weak attractive forces.

  10. Preparation of graphitic articles

    DOEpatents

    Phillips, Jonathan; Nemer, Martin; Weigle, John C.

    2010-05-11

    Graphitic structures have been prepared by exposing templates (metal, metal-coated ceramic, graphite, for example) to a gaseous mixture that includes hydrocarbons and oxygen. When the template is metal, subsequent acid treatment removes the metal to yield monoliths, hollow graphitic structures, and other products. The shapes of the coated and hollow graphitic structures mimic the shapes of the templates.

  11. Constraints on Grain Formation Around Carbon Stars from Laboratory Studies of Presolar Graphite

    NASA Technical Reports Server (NTRS)

    Bernatowicz, T. J.; Akande, O. W.; Croat, T. K.; Cowsik, R.

    2005-01-01

    We report the results of an investigation into the physical conditions in the mass outflows of asymptotic giant branch (AGB) carbon stars that are required for the formation of micron-sized presolar graphite grains, either with or without internal crystals of titanium carbide (TiC). In addition to providing detailed information about stellar nucleosynthesis, the structure and composition of presolar grains give unique information about the conditions of grain formation. In the present work we use laboratory observations of presolar graphite to gain insight into the physical conditions in circumstellar outflows from carbon AGB stars. The periodic pulsation of AGB stars enhances the gas density through shocks in the stellar atmosphere above the photosphere, promoting the condensation of dust grains. Copious mass outflow occurs largely because grains are coupled to the radiation field of the star, which accelerates them by radiation pressure; momentum is in turn transferred to gas molecules by collisions with grains. The dust/gas mixture is effectively a two-component fluid whose motion depends on atmospheric structure and which, in turn, influences that structure. In particular, the radiation pressure on the grains determines the velocity field of the outflow and thus the density distribution, while the density distribution itself determines the conditions of radiative transfer within the outflow and thus the effective radiation pressure.

  12. Structure and dynamics of surfactant and hydrocarbon aggregates on graphite: a molecular dynamics simulation study.

    PubMed

    Sammalkorpi, Maria; Panagiotopoulos, Athanassios Z; Haataja, Mikko

    2008-03-13

    We have examined the structure and dynamics of sodium dodecyl sulfate (SDS) and dodecane (C12) molecular aggregates at varying surface coverages on the basal plane of graphite via classical molecular dynamics simulations. Our results suggest that graphite-hydrocarbon chain interactions favor specific molecular orientations at the single-molecule level via alignment of the tail along the crystallographic directions. This orientational bias is reduced greatly upon increasing the surface coverage for both molecules due to intermolecular interactions, leading to very weak bias at intermediate surface coverages. Interestingly, for complete monolayers, we find a re-emergent orientational bias. Furthermore, by comparing the SDS behavior with C12, we demonstrate that the charged head group plays a key role in the aggregate structures: SDS molecules display a tendency to form linear file-like aggregates while C12 forms tightly bound planar ones. The observed orientational bias for SDS molecules is in agreement with experimental observations of hemimicelle orientation and provides support for the belief that an initial oriented layer governs the orientation of hemimicellar aggregates.

  13. Quantum study of laser-induced initial activation of graphite-to-diamond conversion.

    PubMed

    Acocella, Angela; Carbone, Fabrizio; Zerbetto, Francesco

    2010-09-01

    Recently (Science 2009, 325, 181), femtosecond-resolved electron energy loss spectroscopy (FEELS) was used to map the structural changes of graphite upon laser irradiation, revealing the change from sp(2) to sp(3), i.e., diamond-like, hybridization. With a laser excitation energy of 2.39 eV and a fluence of 1.5 mJ/cm(2), the most pronounced changes were observed in approximately 180 fs, a time similar to the temporal resolution of the technique. The presence of the laser field turns the electronic wavefunction into a wavepacket whose quantum dynamics governs the onset of the structural rearrangement. Density functional theory calculations with a quantum propagator that include the laser field show that the charge density of graphite expands between the layers in an ultrafast process of the order of approximately 10 fs. Calculations as a function of the field/fluence further show different values of the maximum bond order reached at the stationary state. The experimentally used value is at the crossover between two regimes. It is tempting to associate the second regime with the electron organization necessary to achieve ablation or melting. The application of the model demonstrates its potential for examining the dynamical nature of the charge density and chemical bonding as it forms.

  14. The first finding of graphite inclusion in diamond from mantle rocks: The result of the study of eclogite xenolith from Udachnaya pipe (Siberian craton)

    NASA Astrophysics Data System (ADS)

    Mikhailenko, D. S.; Korsakov, A. V.; Golovin, A. V.; Zelenovskiy, P. S.; Pohilenko, N. P.

    2016-08-01

    A xenolith of eclogite from the kimberlite pipe Udachnaya-East, Yakutia Grt+Cpx+Ky + S + Coe/Qtz + Dia + Gr has been studied. Graphite inclusions in diamond have been studied in detail by Confocal Raman (CR) mapping. The graphite inclusion in diamond has a highly ordered structure and is characterized by a substantial shift in the band (about 1580 cm-1) by 7 cm-1, indicating a significant residual strain in the inclusion. According to the results of FTIR spectroscopic studies of diamond crystals, a high degree of nitrogen aggregation has been detected: it is present mainly in form A, which means an "ancient" age of the diamonds. In the xenolith studied, the diamond formation occurred about 1 Byr, long before their transport by the kimberlite melt, and the conditions of the final equilibrium were temperatures of 1020 ± 40°C at 4.7 GPa. Thus, these graphite inclusions found in a diamond are the first evidence of crystallization of metastable graphite in a diamond stability field. They were formed in rocks of the upper mantle significantly below (≥20 km) the graphite-diamond equilibrium line.

  15. A systematic study of well-known electrolyte additives in LiCoO2/graphite pouch cells

    NASA Astrophysics Data System (ADS)

    Wang, David Yaohui; Sinha, N. N.; Petibon, R.; Burns, J. C.; Dahn, J. R.

    2014-04-01

    The effectiveness of well-known electrolyte additives singly or in combination on LiCoO2/graphite pouch cells has been systematically investigated and compared using the ultra high precision charger (UHPC) at Dalhousie University and electrochemical impedance spectroscopy (EIS). UHPC studies are believed to identify the best electrolyte additives singly or in combination within a short time period (several weeks). Three parameters: 1) the coulombic efficiency (CE); 2) the charge endpoint capacity slippage (slippage) and 3) the charge transfer resistance (Rct), of LiCoO2/graphite pouch cells with different electrolyte additives singly or in combination were measured and the results for over 55 additive sets are compared. The experimental results suggest that a combination of electrolyte additives can be more effective than a single electrolyte additive. However, of all the additive sets tested, simply using 2 wt.% vinylene carbonate yielded cells very competitive in CE, slippage and Rct. It is hoped that this comprehensive report can be used as a guide and reference for the study of other electrolyte additives singly or in combination.

  16. Scanning tunneling microscopy study of the assembly and structure of filamentous virus M13 bound to graphite

    NASA Astrophysics Data System (ADS)

    Sharma, Prashant

    2012-02-01

    Viruses are an important class of biomaterials used for placing nano particles on inorganic substrates. To accomplish greater control over viral assembly on a substrate it is important to determine the in situ nanoscale structure of the viral protein coat. Scanning tunneling microscopy offers the unique potential for determining the structure and arrangement of the proteins of a virus adsorbed on a conducting substrate. In this work, I develop an experimental technique for isolating and studying M13 viruses that bind to graphite. Using scanning tunneling microscopy in ambient conditions I obtain the correct lateral dimension of the virus and the periodicity of its protein structure when it is bound to graphite. I also analyze the tunneling conductance fluctuations in these measurements and introduce a simple model for tunneling through an assembly of proteins to obtain an accurate estimation of the vertical dimension of a virus bound to a conducting substrate. I discuss broader implications of this scanning tunneling microscopy study for the in situ structure determination of other biomolecules.

  17. Interaction of a Self-Assembled Ionic Liquid Layer with Graphite(0001): A Combined Experimental and Theoretical Study.

    PubMed

    Buchner, Florian; Forster-Tonigold, Katrin; Bozorgchenani, Maral; Gross, Axel; Behm, R Jürgen

    2016-01-21

    The interaction between (sub)monolayers of the ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide [BMP](+)[TFSA](-) and graphite(0001), which serves as a model for the anode|electolyte interface in Li-ion batteries, was investigated under ultrahigh vacuum conditions in a combined experimental and theoretical approach. High-resolution scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and dispersion-corrected density functional theory (DFT-D) calculations were employed. After vapor deposition at 300 K, XPS indicates molecular adsorbates with a 1:1 ratio of cations/anions. Cool down to ∼100 K leads to the formation of an ordered (2D) crystalline phase, which coexists with a mobile (2D) liquid. DFT-D calculations reveal that adsorbed [BMP](+) and [TFSA](-) species are arranged alternately in a row-like adsorption structure (cation-anion-cation-anion) and that adsorption is dominated by dispersion interactions between adlayer and substrate, on the one hand, and electrostatic interactions between the ions in a row, on the other hand. Simulated STM images of that structure closely resemble the experimental molecular resolved STM images and show that the resolved features mostly stem from the cations.

  18. Interaction of a Self-Assembled Ionic Liquid Layer with Graphite(0001): A Combined Experimental and Theoretical Study.

    PubMed

    Buchner, Florian; Forster-Tonigold, Katrin; Bozorgchenani, Maral; Gross, Axel; Behm, R Jürgen

    2016-01-21

    The interaction between (sub)monolayers of the ionic liquid 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)amide [BMP](+)[TFSA](-) and graphite(0001), which serves as a model for the anode|electolyte interface in Li-ion batteries, was investigated under ultrahigh vacuum conditions in a combined experimental and theoretical approach. High-resolution scanning tunneling microscopy (STM), X-ray photoelectron spectroscopy (XPS), and dispersion-corrected density functional theory (DFT-D) calculations were employed. After vapor deposition at 300 K, XPS indicates molecular adsorbates with a 1:1 ratio of cations/anions. Cool down to ∼100 K leads to the formation of an ordered (2D) crystalline phase, which coexists with a mobile (2D) liquid. DFT-D calculations reveal that adsorbed [BMP](+) and [TFSA](-) species are arranged alternately in a row-like adsorption structure (cation-anion-cation-anion) and that adsorption is dominated by dispersion interactions between adlayer and substrate, on the one hand, and electrostatic interactions between the ions in a row, on the other hand. Simulated STM images of that structure closely resemble the experimental molecular resolved STM images and show that the resolved features mostly stem from the cations. PMID:26713562

  19. Numerical Study of a Thermal Energy Storage Device Utilizing Graphite Foam Infiltrated with a Phase Change Material

    NASA Astrophysics Data System (ADS)

    Gyekenyesi, Andrew; Wroblewski, Adam C.

    2013-11-01

    Phase change materials (PCM) utilized for energy storage have notoriously low thermal conductivities. As a result, systems based only on a PCM have large internal thermal gradients and slow reaction times making them impractical for most applications. To overcome these issues, various approaches have been utilized to increase the conductivity of the PCM systems. One approach includes the utilization of porous, high thermal conductivity graphite foam infiltrated with a PCM. Here, a numerical approach was employed in order to study the graphite foam/PCM thermal energy storage system (TES). The numerical model was constructed to emulate an experimental set-up allowing for comparisons between the two. The numerical simulation results exhibited accurate time-dependent temperatures at various locations as well as a history of the melt-front's progression when compared to the experimental data. Due to the model's successful capture of the transient response of the TES, it is feasible to employ the numerical procedure for designing subsequent thermal energy storage systems.

  20. DEMS study of gas evolution at thick graphite electrodes for lithium-ion batteries: the effect of γ-butyrolactone

    NASA Astrophysics Data System (ADS)

    Lanz, Martin; Novák, Petr

    Differential electrochemical mass spectrometry (DEMS) was used to study the reductive decomposition of an electrolyte based on ethylene carbonate/dimethyl carbonate (EC/DMC), as well as the formation of a solid electrolyte interphase (SEI) in this electrolyte, at thick (75-100 μm) porous graphite composite electrodes. A number of graphite electrodes differing in their electrochemical lithium intercalation properties were investigated in potential-sweep experiments. They proved to be similar with respect to the evolution of ethylene and hydrogen gas during the first two charge/discharge cycles. Due to an incomplete coulombic conversion, a high irreversible capacity, as well as slow diffusion kinetics and an enhanced ohmic resistance of the electrodes, SEI formation on these thick electrodes was not yet complete after the first charge/discharge cycle. Undesired gas evolution can be reduced by adding γ-butyrolactone (GBL) as an electrolyte co-solvent. The amount of ethylene and hydrogen gas evolved decreases with increasing percentages of GBL in an EC/DMC electrolyte, indicating that the SEI layer is built up from GBL rather than from EC decomposition products.

  1. Molecular dynamics simulation study on controlling the adsorption behavior of polyethylene by fine tuning the surface nanodecoration of graphite.

    PubMed

    Wang, Xiao-Lin; Lu, Zhong-Yuan; Li, Ze-Sheng; Sun, Chia-Chung

    2007-01-16

    Molecular dynamics simulations are applied to study the adsorption of polyethylene with different chain lengths on patterned graphite surfaces that contain nanoscale protrusions. The influence of the nanostructure on the strong attractive interaction inherently in the hydrophobic polyethylene and hydrophobic graphite system is investigated by modifying the top surface area and the height and the shape of the protrusions. The results are analyzed in terms of the chain configuration, the adsorption energy, the global orientational order parameter, and the normalized surface-chain contacting pair number in the first adsorption layer. When the size of the protrusion increases, the adsorption energy, the order parameter, and the normalized surface-chain contacting pair number decrease at a fixed chain length. When the size of the protrusion is fixed, the average adsorption energy per monomer and the order parameter decrease with increasing chain length because of the stronger intramolecular interactions between the monomers. Changing the protrusion shape in a suitable way will effectively reduce the strong surface-chain interaction.

  2. Study of SEI layer formed on graphite anodes in PC/LiBOB electrolyte using IR spectroscopy

    SciTech Connect

    Zhuang, G.V.; Xu, K.; Jow, T.R.; Ross Jr., P.N.

    2003-10-30

    Formation of the SEI layer on graphite anodes cycled in propylene carbonate (PC) lithium bis(oxolato)borate (LiBOB) electrolyte was studied by ex-situ Fourier Transform Infrared Spectroscopy (FTIR) analysis in the attenuated total reflection (ATR) mode. The results provide a more refined description of the composition than earlier analyses with x-ray photoelectron spectroscopy (XPS). The vibrational spectra clearly show that electrochemical reduction of the BOB anion is a part of the SEI formation chemistry. Carboxylate and/or oxalate functional groups derived from the BOB anion were the components assigned as the ''semicarbonate'' species in the C 1s XPS spectra of the SEI layer formed in LiBOB electrolyte. Reduction of the BOB anion changes the oxygen coordination around the B atom from tetrahedral BO4 to trigonal BO3, e.g., meta- or orthoborate. Based on the combination of electrochemical and FTIR data, we propose that the preferential reduction of the BOB anion versus the PC solvent molecule is responsible for the cyclability of graphite anodes in purely PC-based electrolyte.

  3. Developments of the spin labelling study of polymers at interfaces.

    PubMed

    Hommel, H

    2008-09-01

    The spin labelling method has been used in a large variety of situations, in the broad field of polymers at solid interfaces. The relevance of the method is confirmed on linear neutral chains of poly (ethylene oxide) (PEO) in well defined situations and compared with the simple theoretical calculations of a mean field theory or some scaling arguments. Both theories have their own strengths and weaknesses. Then the fact, that polymers at solid liquid interfaces are three components systems, is considered and successively the effect of varying the polymer architecture, the solid surface and the solvent is studied. In all these cases specific results are obtained by Electron Paramagnetic Resonance (EPR) showing the usefulness and the versatility of the method. PMID:18353269

  4. Interface strength studies of calcium phosphate ceramic coated strain gauges.

    PubMed

    Battraw, G A; Szivek, J A; Anderson, P L

    1998-01-01

    In vivo strain gauging has been used to understand physiological loading and bone remodeling. In early studies, a cyanoacrylate adhesive was used to bond gauges to bone, even though this adhesive is susceptible to biodegradation that results in rapid debonding. Calcium phosphate ceramic (CPC) coated gauges have been successfully bonded to bone for long periods. However, earlier studies noted occasional debonding of coatings from gauges. The goals of this project were to develop a technique to securely bond particles to gauge backings and develop an in vitro test and assess its accuracy in simulating in vivo degradation of this interface. Gauges were heated for different time intervals, roughened with carbide papers, and prepared using layered coatings of polysulfone and CPC particles that varied in size, shape, and crystallinity. They were soaked in solution or placed in muscle pouches of rats for up to 16 weeks. They were then epoxied to fixtures, mounted on an MTS machine, and loaded to failure. Heating and roughening gauge surfaces increased the interface strengths by up to 2000%. In vivo and in vitro testing showed an initial drop in the interface strength, which leveled off to approximately 7.0+/-2.0 MPa.

  5. Synthesis of few layer graphene by direct exfoliation of graphite and a Raman spectroscopic study

    NASA Astrophysics Data System (ADS)

    Gayathri, S.; Jayabal, P.; Kottaisamy, M.; Ramakrishnan, V.

    2014-02-01

    The exfoliation of graphene from pristine graphite in a liquid phase was achieved successfully via sonication followed by centrifugation method. Ultraviolet-visible (UV-vis) spectra of the obtained graphene dispersions at different exfoliation time indicated that the concentration of graphene dispersion increased markedly with increasing exfoliation time. The sheet-like morphology of the exfoliated graphene was revealed by Scanning Electron Microscopy (SEM) image. Further, the morphological change in different exfoliation time was investigated by Atomic Force Microscopy (AFM). A complete structural and defect characterization was probed using micro-Raman spectroscopic technique. The shape and position of the 2D band of Raman spectra revealed the formation of bilayer to few layer graphene. Also, Raman mapping confirmed the presence of uniformly distributed bilayer graphene sheets on the substrate.

  6. Experimental studies of graphite-epoxy and boron-epoxy angle ply laminates in shear

    NASA Technical Reports Server (NTRS)

    Weller, T.

    1977-01-01

    The nonlinear/inelastic response under inplane shear of a large variety of graphite-epoxy and boron-epoxy angle-ply laminates was tested. Their strength allowables were obtained and the mechanisms which govern their mode of failure were determined. Two types of specimens for the program were chosen, tested, and evaluated: shear panels stabilized by an aluminum honeycomb core and shear tubes. A modified biaxially compression/tension loaded picture frame was designed and utilized in the test program with the shear panels. The results obtained with this test technique categorically prefer the shear panels, rather than the tubes, for adequate and satisfactory experimental definition of the objectives. Test results indicate the existence of a so-called core-effect which ought to be considered when reducing experimental data for weak in shear laminates.

  7. Thermodynamic study of krypton adsorbed on graphite using a statistical physics treatment

    NASA Astrophysics Data System (ADS)

    Ben Yahia, M.; Aouaini, F.; Hachicha, M. A.; Knani, S.; Khalfaoui, M.; Ben Lamine, A.

    2013-06-01

    New theoretical expressions for the adsorption isotherm of krypton on exfoliated graphite at 77.3 K were established. The establishment of these new expressions is based on the statistical physics formalism and some working hypotheses. This method allowed the estimation of the physico-chemical parameters in the theoretical models. The parameters intervening in the adsorption process were deduced directly from the experimental adsorption isotherm by numerical simulation. Our objective in this modeling approach is to select an adequate model that presents a high correlation with the experimental curve. We introduce three parameters affecting the adsorption process, namely, the density of krypton receptor sites NM, the number of molecules per site and the krypton adsorption energy. Then, we apply the appropriate model to calculate the thermodynamics functions, such as the entropy, the free enthalpy and the internal energy, that govern the adsorption mechanism.

  8. Study of nanometer-thick graphite film for high-power EUVL pellicle

    NASA Astrophysics Data System (ADS)

    Kim, Mun Ja; Jeon, Hwan Chul; Chalykh, Roman; Kim, Eokbong; Na, Jihoon; Kim, Byung-Gook; Kim, Heebom; Jeon, Chanuk; Kim, Seul-Gi; Shin, Dong-Wook; Kim, Taesung; Kim, Sooyoung; Lee, Jung Hun; Yoo, Ji-Beom

    2016-03-01

    Extreme ultraviolet (EUV) lithography has received much attention in the semiconductor industry as a promising candidate to extend dimensional scaling beyond 10nm. Recently EUV pellicle introduction is required to improve particle level inside scanner for EUV mass production. We demonstrate that a new pellicle material, nanometer-thick graphite film (NGF), is one of the best candidates of EUV pellicle membrane. A NGF pellicle with excellent thermal (ɛ≥0.4 @R.T, <100nm), mechanical (415MPa @~100nm), chemical and optical (24hrs durability under exposure of EUV/H2 at 4W/cm2 with pH2~5Pa) properties can be a promising and superb candidate for EUV pellicle membrane compared to Si pellicles with capping layers.

  9. Organic contamination of highly oriented pyrolytic graphite as studied by scanning electrochemical microscopy.

    PubMed

    Nioradze, Nikoloz; Chen, Ran; Kurapati, Niraja; Khvataeva-Domanov, Anastasia; Mabic, Stéphane; Amemiya, Shigeru

    2015-05-01

    Highly oriented pyrolytic graphite (HOPG) is an important electrode material as a structural model of graphitic nanocarbons such as graphene and carbon nanotubes. Here, we apply scanning electrochemical microscopy (SECM) to demonstrate quantitatively that the electroactivity of the HOPG basal surface can be significantly lowered by the adsorption of adventitious organic impurities from both ultrapure water and ambient air. An SECM approach curve of (ferrocenylmethyl)trimethylammonium (FcTMA(+)) shows the higher electrochemical reactivity of the HOPG surface as the aqueous concentration of organic impurities, i.e., total organic carbon (TOC), is decreased from ∼20 to ∼1 ppb. SECM-based nanogap voltammetry in ∼1 ppb-TOC water yields unprecedentedly high standard electron-transfer rate constants, k(0), of ≥17 and ≥13 cm/s for the oxidation and reduction of the FcTMA(2+/+) couple, respectively, at the respective tip-HOPG distances of 36 and 45 nm. Anomalously, k(0) values and nanogap widths are different between the oxidation and reduction of the same redox couple at the same tip position, which is ascribed to the presence of an airborne contaminant layer on the HOPG surface in the noncontaminating water. This hydrophobic layer is more permeable to FcTMA(+) with less charge than its oxidized form so that the oxidation of FcTMA(+) at the HOPG surface results in the higher tip current and, subsequently, apparently narrower gap and higher k(0). Mechanistically, we propose that HOPG adsorbs organic impurities mainly from ambient air and then additionally from ∼20 ppb-TOC water. The latter tightens a monolayer of airborne contaminants to yield lower permeability.

  10. Thermal behavior of deuterium implanted into nuclear graphite studied by NRA

    NASA Astrophysics Data System (ADS)

    Le Guillou, M.; Toulhoat, N.; Pipon, Y.; Moncoffre, N.; Bérerd, N.; Perrat-Mabilon, A.; Rapegno, R.

    2014-08-01

    This paper focuses on the thermal behavior of deuterium, simulating tritium, implanted into virgin nuclear graphite of French gas-cooled reactors, which are being decommissioned. Deuterium ions D+ were implanted into graphite (around 3 at.% at the projected range Rp) at two different depths (around 670 nm and 2.8 μm) and annealed up to about 300 h in a temperature range from 200 °C to 1200 °C under vacuum or argon flow. Before and after heat treatments, D distribution profiles in the samples were followed using the nuclear reaction D(3He,p)4He, with a millimetric beam at the 4 MV Van de Graaff accelerator of IPNL (Institut de Physique Nucléaire de Lyon, France). The results show that the deuterium release becomes significant at temperatures higher than 600 °C and is almost totally completed at 1200 °C. The comparison of the results, obtained for both implantation depths, points out the role of the porosity with respect to deuterium permeation. The release follows two stages: a rapid step where it occurs within a few hours, followed by a much slower step during which the release of deuterium saturates. The initial stage is characterized by an activation energy of 1.3 eV and might correspond to detrapping of D located at crystallite edges and its diffusion at the crystallite surfaces. We assume that the second stage kinetics corresponds to a very slow diffusion of D located inside the crystallites and chemisorbed to carbon atoms through sp2 or sp3 bonds.

  11. Atomistic study on the FCC/BCC interface structure with {112}KS orientation

    SciTech Connect

    Kang, Keonwook; Beyerlein, Irene; Han, Weizhong; Wang, Jian; Mara, Nathan

    2011-09-23

    In this study, atomistic simulation is used to explore the atomic interface structure, the intrinsic defect network, and mechanism of twin formation from the {112}KS Cu-Nb interface. The interface structure of different material systems AI-Fe and AI-Nb are also compared with Cu-Nb interface.

  12. X-Ray Studies of Thin Films and Interfaces.

    NASA Astrophysics Data System (ADS)

    Woronick, Steven Charles

    1990-01-01

    Presented here are a series of x-ray studies utilizing synchrotron radiation to investigate a variety of properties of thin films and interfaces in technologically important materials. By far the largest part of this dissertation is devoted to studies of x-ray reflectivity as a function of angle (mainly soft x rays), although some extended x -ray absorption fine structure (EXAFS) results are included as reprinted published papers (briefly discussed). The reflectivity discussion covers theory, experimental techniques, data analysis (by curve-fitting), and specific applications. The material systems studied by the x-ray reflectivity technique include: bulk silicon, GaAs, InAs, ~250 -A InAs layers deposited by molecular-beam epitaxy (MBE) on GaAs(100) substrates, four thicknesses (~ 126-1100 A) of SiO_2 /Si(100) produced by dry thermal oxidation, and ~250-A layers of CoSi_2 /Si(111) (two samples, one produced by MBE and one by solid-phase epitaxy). Results determined from the reflectivity measurements include: interfacial roughness parameters, refractive index of materials (in the energy range ~400-1100 eV), and overlayer thicknesses. It has been found for example that the indium -stabilized growth mode of InAs on GaAs(100) results in a smoother buried interface than the arsenic-stabilized growth mode, while the indium-stabilized growth mode on 2^circ-off GaAs(100) produces the smoothest buried interface (with typical roughness parameters in the range 10-19 A). Preliminary results indicate that growth of CoSi_2/Si(111) by MBE produces smoother buried interfaces than growth by solid-phase epitaxy. The roughness parameters have been explained in terms of growth conditions, lattice mismatch, and material inhomogeneity in the vicinity of the buried interface. The oxygen atomic scattering factor for photons in the range 400-800 eV (oxygen K edge ~ 540 eV) has also been deduced from a determination the Si and SiO_2 refractive indices. The EXAFS studies were used to

  13. A Study of the Oxidation Behaviour of Pile Grade A (PGA) Nuclear Graphite Using Thermogravimetric Analysis (TGA), Scanning Electron Microscopy (SEM) and X-Ray Tomography (XRT).

    PubMed

    Payne, Liam; Heard, Peter J; Scott, Thomas B

    2015-01-01

    Pile grade A (PGA) graphite was used as a material for moderating and reflecting neutrons in the UK's first generation Magnox nuclear power reactors. As all but one of these reactors are now shut down there is a need to understand the residual state of the material prior to decommissioning of the cores, in particular the location and concentration of key radio-contaminants such as 14C. The oxidation behaviour of unirradiated PGA graphite was studied, in the temperature range 600-1050°C, in air and nitrogen using thermogravimetric analysis, scanning electron microscopy and X-ray tomography to investigate the possibility of using thermal degradation techniques to examine 14C distribution within irradiated material. The thermal decomposition of PGA graphite was observed to follow the three oxidation regimes historically identified by previous workers with limited, uniform oxidation at temperatures below 600°C and substantial, external oxidation at higher temperatures. This work demonstrates that the different oxidation regimes of PGA graphite could be developed into a methodology to characterise the distribution and concentration of 14C in irradiated graphite by thermal treatment.

  14. A Study of the Oxidation Behaviour of Pile Grade A (PGA) Nuclear Graphite Using Thermogravimetric Analysis (TGA), Scanning Electron Microscopy (SEM) and X-Ray Tomography (XRT)

    PubMed Central

    Payne, Liam; Heard, Peter J.; Scott, Thomas B.

    2015-01-01

    Pile grade A (PGA) graphite was used as a material for moderating and reflecting neutrons in the UK’s first generation Magnox nuclear power reactors. As all but one of these reactors are now shut down there is a need to understand the residual state of the material prior to decommissioning of the cores, in particular the location and concentration of key radio-contaminants such as 14C. The oxidation behaviour of unirradiated PGA graphite was studied, in the temperature range 600–1050°C, in air and nitrogen using thermogravimetric analysis, scanning electron microscopy and X-ray tomography to investigate the possibility of using thermal degradation techniques to examine 14C distribution within irradiated material. The thermal decomposition of PGA graphite was observed to follow the three oxidation regimes historically identified by previous workers with limited, uniform oxidation at temperatures below 600°C and substantial, external oxidation at higher temperatures. This work demonstrates that the different oxidation regimes of PGA graphite could be developed into a methodology to characterise the distribution and concentration of 14C in irradiated graphite by thermal treatment. PMID:26575374

  15. A Study of the Oxidation Behaviour of Pile Grade A (PGA) Nuclear Graphite Using Thermogravimetric Analysis (TGA), Scanning Electron Microscopy (SEM) and X-Ray Tomography (XRT).

    PubMed

    Payne, Liam; Heard, Peter J; Scott, Thomas B

    2015-01-01

    Pile grade A (PGA) graphite was used as a material for moderating and reflecting neutrons in the UK's first generation Magnox nuclear power reactors. As all but one of these reactors are now shut down there is a need to understand the residual state of the material prior to decommissioning of the cores, in particular the location and concentration of key radio-contaminants such as 14C. The oxidation behaviour of unirradiated PGA graphite was studied, in the temperature range 600-1050°C, in air and nitrogen using thermogravimetric analysis, scanning electron microscopy and X-ray tomography to investigate the possibility of using thermal degradation techniques to examine 14C distribution within irradiated material. The thermal decomposition of PGA graphite was observed to follow the three oxidation regimes historically identified by previous workers with limited, uniform oxidation at temperatures below 600°C and substantial, external oxidation at higher temperatures. This work demonstrates that the different oxidation regimes of PGA graphite could be developed into a methodology to characterise the distribution and concentration of 14C in irradiated graphite by thermal treatment. PMID:26575374

  16. Caesium Free Negative Ion Sources for Neutral Beam Injectors: a Study of Negative Ion Production on Graphite Surface in Hydrogen and Deuterium Plasma

    SciTech Connect

    Schiesko, L.; Carrere, M.; Cartry, G.; Layet, J.-M.

    2009-03-12

    Negative ion generation on HOPG graphite surface has been studied in hydrogen and deuterium plasma. We measure Ion Distribution Function (IDF) of negative ions coming from graphite surface bombarded by positive ions in H{sub 2}/D{sub 2} plasmas. We showed that negative ions flux was proportional to positive ion flux and was strongly dependant on impinging energy. IDF study shows two generation mechanisms are involved: sputtering of adsorbed H/D as negative ions and, in a less important way, double electron capture. We compare H{sub 2}/D{sub 2} plasmas, and point out isotopic effect between H{sup -} and D{sup -} production.

  17. A study of structurally efficient graphite-thermoplastic trapezoidal-corrugation sandwich and semi-sandwich panels

    NASA Technical Reports Server (NTRS)

    Jegley, Dawn C.

    1993-01-01

    The structural efficiency of compression-loaded trapezoidal-corrugation sandwich and semi-sandwich composite panels is studied to determine their weight savings potential. Sandwich panels with two identical face sheets and a trapezoidal corrugated core between them, and semi-sandwich panels with a corrugation attached to a single skin are considered. An optimization code is used to find the minimum weight designs for critical compressive load levels ranging from 3,000 to 24,000 lb/in. Graphite-thermoplastic panels based on the optimal minimum weight designs were fabricated and tested. A finite-element analysis of several test specimens was also conducted. The results of the optimization study, the finite-element analysis, and the experiments are presented.

  18. Chapter 20: Graphite

    SciTech Connect

    Burchell, Timothy D

    2012-01-01

    Graphite is truly a unique material. Its structure, from the nano- to the millimeter scale give it remarkable properties that lead to numerous and diverse applications. Graphite bond anisotropy, with strong in-plane covalent bonds and weak van der Waals type bonding between the planes, gives graphite its unique combination of properties. Easy shear of the crystal, facilitated by weak interplaner bonds allows graphite to be used as a dry lubricant, and is responsible for the substances name! The word graphite is derived from the Greek to write because of graphites ability to mark writing surfaces. Moreover, synthetic graphite contains within its structure, porosity spanning many orders of magnitude in size. The thermal closure of these pores profoundly affects the properties for example, graphite strength increases with temperature to temperatures in excess of 2200 C. Consequently, graphite is utilized in many high temperature applications. The basic physical properties of graphite are reviewed here. Graphite applications include metallurgical; (aluminum and steel production), single crystal silicon production, and metal casting; electrical (motor brushes and commutators); mechanical (seals, bearings and bushings); and nuclear applications, (see Chapter 91, Nuclear Graphite). Here we discuss the structure, manufacture, properties, and applications of Graphite.

  19. 2008 ULTRASONIC BENCHMARK STUDIES OF INTERFACE CURVATURE--A SUMMARY

    SciTech Connect

    Schmerr, L. W.; Huang, R.; Raillon, R.; Mahaut, S.; Leymarie, N.; Lonne, S.; Spies, M.; Lupien, V.

    2009-03-03

    In the 2008 QNDE ultrasonic benchmark session researchers from five different institutions around the world examined the influence that the curvature of a cylindrical fluid-solid interface has on the measured NDE immersion pulse-echo response of a flat-bottom hole (FBH) reflector. This was a repeat of a study conducted in the 2007 benchmark to try to determine the sources of differences seen in 2007 between model-based predictions and experiments. Here, we will summarize the results obtained in 2008 and analyze the model-based results and the experiments.

  20. Unraveling the nanostructure of supramolecular assemblies of hydrogen-bonded rosettes on graphite: An atomic force microscopy study

    PubMed Central

    Schönherr, Holger; Paraschiv, Vasile; Zapotoczny, Szczepan; Crego-Calama, Mercedes; Timmerman, Peter; Frank, Curtis W.; Vancso, G. Julius; Reinhoudt, David N.

    2002-01-01

    The self-organization of multicomponent tetrarosette assemblies into ordered nanostructures on graphite surfaces has been studied by atomic force microscopy (AFM). Real-space information on the level of individual molecules allowed us to analyze the underlying structure in unprecedented detail. In highly ordered nanorod domains, tetrarosettes 13⋅(DEB)12 arrange in the form of parallel rows with a spacing of 4.6 ± 0.1 nm. High resolution AFM revealed the internal packing of the tetrarosette assemblies in these rows, which can be described by an oblique lattice with a = 2.5 ± 0.3 nm, b = 5.0 ± 0.1 nm, and γ = 122 ± 3°. The results, together with recent improvements in synthetic approaches, contribute to the development of a general strategy to develop H-bonding-based nanostructures with molecular precision. PMID:11929980

  1. Analytical and experimental studies of graphite-epoxy and boron-epoxy angle ply laminates in shear

    NASA Technical Reports Server (NTRS)

    Weller, T.

    1977-01-01

    The results of a comparison study between a test program on the inelastic response under inplane shear over a wide range of graphite-epoxy and boron-epoxy angle-ply laminates are reported. This investigation was aimed at evaluating the applicability and adequacy of these analyses to predict satisfactorily the responses of angle-ply laminates. It was observed that these analytical tools are inadequate for this purpose as they fail to predict with sufficient confidence the shape of response and in particular the strength values associated with a given laminate configuration. Consequently, they do not provide the sought-after information about failure mechanisms which trigger failure of a particular designed laminate.

  2. Study on the cutting mechanism and the brittle ductile transition model of isotropic pyrolyric graphite

    NASA Astrophysics Data System (ADS)

    Wang, Minghai; Wang, Hujun; Liu, Zhonghai

    2010-12-01

    Isotropic pyrolyric graphite (IPG) is a new kind of brittle material, it can be used for sealing the aero-engine turbine shaft and the ethylene high-temperature equipment. It not only has the general advantages of ordinal carbonaceous materials such as high temperature resistance, lubrication and abrasion resistance, but also has the advantages of impermeability and machinability that carbon/carbon composite doesn't have. Therefore, it has broad prospects for development. Mechanism of brittle-ductile transition of IPG is the foundation of precision cutting while the plastic deformation of IPG is the essential and the most important mechanical behavior of precision cutting. Using the theory of strain gradient, the mechanism of this material removal during the precision cutting is analyzed. The critical cutting thickness of IPG is calculated for the first time. Furthermore, the cutting process parameters such as cutting depth, feed rate which corresponding to the scale of brittle-ductile transition deformation of IPG are calculated. In the end, based on the theory of micromechanics, the deformation behaviors of IPG such as brittle fracture, plastic deformation and mutual transformation process are all simulated under the Sih.G.C fracture criterion. The condition of the simulation is that the material under the pressure-shear loading conditions .The result shows that the best angle during the IPG precision cutting is -30°. The theoretical analysis and the simulation result are validated by precision cutting experiments.

  3. Study on the cutting mechanism and the brittle ductile transition model of isotropic pyrolyric graphite

    NASA Astrophysics Data System (ADS)

    Wang, Minghai; Wang, Hujun; Liu, Zhonghai

    2011-05-01

    Isotropic pyrolyric graphite (IPG) is a new kind of brittle material, it can be used for sealing the aero-engine turbine shaft and the ethylene high-temperature equipment. It not only has the general advantages of ordinal carbonaceous materials such as high temperature resistance, lubrication and abrasion resistance, but also has the advantages of impermeability and machinability that carbon/carbon composite doesn't have. Therefore, it has broad prospects for development. Mechanism of brittle-ductile transition of IPG is the foundation of precision cutting while the plastic deformation of IPG is the essential and the most important mechanical behavior of precision cutting. Using the theory of strain gradient, the mechanism of this material removal during the precision cutting is analyzed. The critical cutting thickness of IPG is calculated for the first time. Furthermore, the cutting process parameters such as cutting depth, feed rate which corresponding to the scale of brittle-ductile transition deformation of IPG are calculated. In the end, based on the theory of micromechanics, the deformation behaviors of IPG such as brittle fracture, plastic deformation and mutual transformation process are all simulated under the Sih.G.C fracture criterion. The condition of the simulation is that the material under the pressure-shear loading conditions .The result shows that the best angle during the IPG precision cutting is -30°. The theoretical analysis and the simulation result are validated by precision cutting experiments.

  4. Protein adsorption on a hydrophobic surface: a molecular dynamics study of lysozyme on graphite.

    PubMed

    Raffaini, Giuseppina; Ganazzoli, Fabio

    2010-04-20

    Adsorption of human lysozyme on hydrophobic graphite is investigated through atomistic computer simulations with molecular mechanics (MM) and molecular dynamics (MD) techniques. The chosen strategy follows a simulation protocol proposed by the authors to model the initial and the final adsorption stage on a bare surface. Adopting an implicit solvent and considering 10 starting molecular orientations so that all the main sides of the protein can face the surface, we first carry out an energy minimization to investigate the initial adsorption stage, and then long MD runs of selected arrangements to follow the surface spreading of the protein maximizing its adsorption strength. The results are discussed in terms of the kinetics of surface spreading, the interaction energy, and the molecular size, considering both the footprint and the final thickness of the adsorbed protein. The structural implications of the final adsorption geometry for surface aggregation and nanoscale structural organization are also pointed out. Further MD runs are carried out in explicit water for the native structure and the most stable adsorption state to assess the local stability of the geometry obtained in implicit solvent, and to calculate the statistical distribution of the water molecules around the whole lysozyme and its backbone.

  5. Density functional studies of functionalized graphitic materials with late transition metals for Oxygen Reduction Reactions.

    PubMed

    Calle-Vallejo, Federico; Martínez, José Ignacio; Rossmeisl, Jan

    2011-09-14

    Low-temperature fuel cells are appealing alternatives to the conventional internal combustion engines for transportation applications. However, in order for them to be commercially viable, effective, stable and low-cost electrocatalysts are needed for the Oxygen Reduction Reaction (ORR) at the cathode. In this contribution, on the basis of Density Functional Theory (DFT) calculations, we show that graphitic materials with active sites composed of 4 nitrogen atoms and transition metal atoms belonging to groups 7 to 9 in the periodic table are active towards ORR, and also towards Oxygen Evolution Reaction (OER). Spin analyses suggest that the oxidation state of those elements in the active sites should in general be +2. Moreover, our results verify that the adsorption behavior of transition metals is not intrinsic, since it can be severely altered by changes in the local geometry of the active site, the chemical nature of the nearest neighbors, and the oxidation states. Nonetheless, we find that these catalysts trend-wise behave as oxides and that their catalytic activity is limited by exactly the same universal scaling relations. PMID:21796295

  6. Experimental and analytical study of fatigue damage in notched graphite/epoxy laminates

    NASA Technical Reports Server (NTRS)

    Whitcomb, J. D.

    1979-01-01

    Both tension and compression fatigue behaviors were investigated in four notched graphite/epoxy laminates. After fatigue loading, specimens were examined for damage type and location using visual inspection, light microscopy, scanning electron microscopy, ultrasonic C-scans, and X-radiography. Delamination and ply cracking were found to be the dominant types of fatigue damage. In general, ply cracks did not propagate into adjacent plies of differing fiber orientation. To help understand the varied fatigue observations, the interlaminar stress distribution was calculated with finite element analysis for the regions around the hole and along the straight free edge. Comparison of observed delamination locations with the calculated stresses indicated that both interlaminar shear and peel stresses must be considered when predicting delamination. The effects of the fatigue cycling on residual strength and stiffness were measured for some specimens of each laminate type. Fatigue loading generally caused only small stiffness losses. In all cases, residual strengths were greater than or equal to the virgin strengths.

  7. Space station automation and robotics study. Operator-systems interface

    NASA Technical Reports Server (NTRS)

    1984-01-01

    This is the final report of a Space Station Automation and Robotics Planning Study, which was a joint project of the Boeing Aerospace Company, Boeing Commercial Airplane Company, and Boeing Computer Services Company. The study is in support of the Advanced Technology Advisory Committee established by NASA in accordance with a mandate by the U.S. Congress. Boeing support complements that provided to the NASA Contractor study team by four aerospace contractors, the Stanford Research Institute (SRI), and the California Space Institute. This study identifies automation and robotics (A&R) technologies that can be advanced by requirements levied by the Space Station Program. The methodology used in the study is to establish functional requirements for the operator system interface (OSI), establish the technologies needed to meet these requirements, and to forecast the availability of these technologies. The OSI would perform path planning, tracking and control, object recognition, fault detection and correction, and plan modifications in connection with extravehicular (EV) robot operations.

  8. Graphite Technology Development Plan

    SciTech Connect

    W. Windes; T. Burchell; M.Carroll

    2010-10-01

    The Next Generation Nuclear Plant (NGNP) will be a helium-cooled High Temperature Gas Reactor (HTGR) with a large graphite core. Graphite physically contains the fuel and comprises the majority of the core volume. Graphite has been used effectively as a structural and moderator material in both research and commercial high-temperature gas-cooled reactors. This development has resulted in graphite being established as a viable structural material for HTGRs. While the general characteristics necessary for producing nuclear grade graphite are understood, historical “nuclear” grades no longer exist. New grades must be fabricated, characterized, and irradiated to demonstrate that current grades of graphite exhibit acceptable non-irradiated and irradiated properties upon which the thermomechanical design of the structural graphite in NGNP is based. This Technology Development Plan outlines the research and development (R&D) activities and associated rationale necessary to qualify nuclear grade graphite for use within the NGNP reactor.

  9. Ultrafast studies of electron dynamics at metal-dielectric interfaces

    SciTech Connect

    Ge, Nien-Hui

    1998-10-01

    Femtosecond time- and angle-resolved two-photon photoemission spectroscopy has been used to study fundamental aspects of excited electron dynamics at metal-dielectric interfaces, including layer-by-layer evolution of electronic structure and two-dimensional electron localization. On bare Ag(111), the lifetimes of image states are dominated by their position with respect to the projected bulk band structure. The n = 2 state has a shorter lifetime than the n = 1 state due to degeneracy with the bulk conduction band. As the parallel momentum of the n = 1 image electron increases, the lifetime decreases. With decreasing temperatures, the n = 1 image electrons, with zero or nonzero parallel momentum, all become longer lived. Adsorption of one to three layers of n-heptane results in an approximately exponential increase in lifetime as a function of layer thickness. This results from the formation of a tunneling barrier through which the interfacial electrons must decay, consistent with the repulsive bulk electron affinity of n-alkanes. The lifetimes of the higher quantum states indicate that the presence of the monolayer significantly reduces coupling of the image states to the bulk band structure. These results are compared with predictions of a dielectric continuum model. The study of electron lateral motion shows that optical excitation creates interfacial electrons in quasifree states for motion parallel to the n-heptane/Ag(111) interface. These initially delocalized electrons decay into a localized state within a few hundred femtoseconds. The localized electrons then decay back to the metal by tunneling through the adlayer potential barrier. The localization time depends strongly on the electron's initial parallel momentum and exhibits a non-Arrhenius temperature dependence. The experimental findings are consistent with a 2-D self-trapping process in which electrons become localized by interacting with the topmost plane of the alkane layer. The energy dependence of

  10. Simulation study of water/silicon oxide interface

    NASA Astrophysics Data System (ADS)

    Lorenz, Christian; Rempe, Susan; Stevens, Mark; Grest, Gary; Tsige, Mesfin

    2006-03-01

    The interaction of water with solid surfaces plays a crucial role in many phenomena. The water-silica interface is one of the typical systems encountered in technological and natural materials. Numerous technological applications of silica were found to rely on its specific surface properties. Large scale quantum mechanics (QM) and classical molecular dynamics (MD) simulations are used to study the molecular configurations and wetting properties of water at the interface of different silicon oxide surfaces. In order to understand how the surface coverage of silanols (-SiOH) affects the wetting behavior of the silica surfaces, both crystalline ((001) α-quartz (coverage 9.6 nm-2) and (100) β-cristobalite (7.8 nm-2)) and amorphous silica (5.0 nm-2) substrates have been studied. The binding energy of the water, the number of water molecules hydrogen-bonded to the surface and the configuration of the hydrogen-bonded water molecules are determined as a function of silanol coverage from QM simulations. The number of water molecules within a monolayer and the orientation of the water molecules within the monolayer and in the bulk are determined from MD simulations. Results from two classical force fields are compared to one another and to the relevant quantities from the QM simulations. Sandia is a multiprogram laboratory operated by Sandia Corporation, a Lockheed Martin Company, for the United States Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

  11. Supported Lipid Bilayer Technology for the Study of Cellular Interfaces

    PubMed Central

    Crites, Travis J.; Maddox, Michael; Padhan, Kartika; Muller, James; Eigsti, Calvin; Varma, Rajat

    2015-01-01

    Glass-supported lipid bilayers presenting freely diffusing proteins have served as a powerful tool for studying cell-cell interfaces, in particular, T cell–antigen presenting cell (APC) interactions, using optical microscopy. Here we expand upon existing protocols and describe the preparation of liposomes by an extrusion method, and describe how this system can be used to study immune synapse formation by Jurkat cells. We also present a method for forming such lipid bilayers on silica beads for the study of signaling responses by population methods, such as western blotting, flow cytometry, and gene-expression analysis. Finally, we describe how to design and prepare transmembrane-anchored protein-laden liposomes, following expression in suspension CHO (CHOs) cells, a mammalian expression system alternative to insect and bacterial cell lines, which do not produce mammalian glycosylation patterns. Such transmembrane-anchored proteins may have many novel applications in cell biology and immunology. PMID:26331983

  12. Study of large flexible tunnel for shuttle/payload interface

    NASA Technical Reports Server (NTRS)

    1972-01-01

    A theoretical and preliminary design study of a large flexible tunnel for use at the shuttle/payload interface is discussed. The theoretical study consisted of evaluating various design concepts and determining their adaptability to the tunnel requirements. The theoretical study culminated in the selection of one concept. The selected concept was documented with preliminary drawings of a full-scale ground test model. Supporting preliminary structural, thermal, micrometeoroid, material, and weight analyses were conducted. The specified tunnel requirements could be broadly grouped into two categories; environmental and performance. The environmental requirements were those ambient conditions and loads associated with ground, launch, space and reentry of the shuttle vehicle. Materials are presently available which will meet all these environmental requirements and can be designed into the structure to withstand the specified loads.

  13. A comparative study on fabrication of Mn2+ selective polymeric membrane electrode and coated graphite electrode.

    PubMed

    Singh, Ashok Kumar; Bandi, Koteswara Rao; Upadhyay, Anjali; Jain, A K

    2013-03-01

    Poly(vinyl chloride)-based membranes of two ligands 2,4-bis(2-acetoxybenzylamino)-6-phenyl-1,3,5-triazine (L1) and N2,N4-di(cyanoethyl)-2,4-bis(2-acetoxybenzylamino)-6-phenyl-1,3,5-triazine (L2) were fabricated and explored as Mn(2+) ion selective electrodes. The performance of the polymeric membranes electrodes of ionophores with different plasticizers (dibutylphthalate, benzoic acid, o-nitrophenyloctyl ether, 1-chloronapthalene and tri-n-butylphosphate) and anion excluders (sodium tetraphenylborate and potassium tetrakis p-(chloro phenyl)borate) was looked in to and the better results were obtained with the membrane having composition L2: NaTPB: DBP: PVC as 6: 3: 56: 35 (w/w; mg). The coated graphite electrode (CGE) with same composition was also fabricated and investigated as Mn(2+) selective electrode. It was found that CGE showed better response characteristics than PME. The potentiometric response of CGE was independent of pH in the range 3.0-9.0 exhibiting the Nernstian slope 29.5 ± 0.3 mVdecade(-1) of activity and working concentration range 4.1 × 10(-7)-1.0 × 10(-1)mol L(-1) with a limit of detection 6.7 × 10(-8)mol L(-1). The electrode showed a fast response time of 12s with a shelf life of 105 days. The proposed CGE could be successfully used for the determination of Mn(2+) ions in different water, soil, vegetables and medicinal plants also used as an indicator electrode in potentiometric titration with EDTA.

  14. Study of coal and graphite specimens by means of Raman and cathodoluminescence

    NASA Astrophysics Data System (ADS)

    Kostova, Irena; Tormo, Laura; Crespo-Feo, Elena; Garcia-Guinea, Javier

    2012-06-01

    The weak luminescence shown by coals has been attributed to accessorial minerals and poly-nuclear aromatic hydrocarbons, such as exinite, vitrinite or inertinite, while the luminescence quenching has been found in asphaltenes produced by coal hydrogenation or in pyridine extracts. Nowadays, the spatial resolution and the improved luminescence efficiency of the modern spectrometers allow some details of the luminescent emission centers to be explained. We have selected museum historical coal specimens with different rank, i.e., peat, lignite, sub-bituminous, bituminous, and anthracite to be analyzed by their spectra from cathodoluminescence probe (CL) of an environmental scanning electron microscopy (ESEM), with an energy dispersive spectrometry analyzer (EDS). Additional analytical controls were also performed by X-ray diffraction (XRD), X-ray fluorescence (XRF) and Raman spectrometries. We conclude that coals may display different luminescence emission features coming from several different sources, as follows: (i) broadband of intense luminescence from polynuclear aromatic hydrocarbons, (ii) weakly visible broadband luminescence attributed to band-tail states caused by variations in the energy gap of individual sp2 carbon clusters, which are different in size and/or shape, (iii) silicate impurities causing the common luminescence peak at 325 nm observed in coals. This peak is due to non-bridging oxygen hole centres (tbnd Sisbnd Orad ) probably generated by precursor Sisbnd Osbnd C species formed by tbnd Sisbnd Orad defects and carbon atoms; (iv) a 710 nm CL emission commonly detected also in wood and ivory, which has been correlated with hydrocarbon groups of chlorophyll or lignine. Coals are very complex rocks, composed by both organic and inorganic phases with variable and complex spectra. More analyses are necessary and carbonaceous standards of graphite, silicon carbide, stuffed carbon silica and diamond at variable experimental conditions have to be

  15. Study of coal and graphite specimens by means of Raman and cathodoluminescence.

    PubMed

    Kostova, Irena; Tormo, Laura; Crespo-Feo, Elena; Garcia-Guinea, Javier

    2012-06-01

    The weak luminescence shown by coals has been attributed to accessorial minerals and poly-nuclear aromatic hydrocarbons, such as exinite, vitrinite or inertinite, while the luminescence quenching has been found in asphaltenes produced by coal hydrogenation or in pyridine extracts. Nowadays, the spatial resolution and the improved luminescence efficiency of the modern spectrometers allow some details of the luminescent emission centers to be explained. We have selected museum historical coal specimens with different rank, i.e., peat, lignite, sub-bituminous, bituminous, and anthracite to be analyzed by their spectra from cathodoluminescence probe (CL) of an environmental scanning electron microscopy (ESEM), with an energy dispersive spectrometry analyzer (EDS). Additional analytical controls were also performed by X-ray diffraction (XRD), X-ray fluorescence (XRF) and Raman spectrometries. We conclude that coals may display different luminescence emission features coming from several different sources, as follows: (i) broadband of intense luminescence from polynuclear aromatic hydrocarbons, (ii) weakly visible broadband luminescence attributed to band-tail states caused by variations in the energy gap of individual sp(2) carbon clusters, which are different in size and/or shape, (iii) silicate impurities causing the common luminescence peak at 325 nm observed in coals. This peak is due to non-bridging oxygen hole centres (≡Si-O·) probably generated by precursor Si-O-C species formed by ≡Si-O· defects and carbon atoms; (iv) a 710 nm CL emission commonly detected also in wood and ivory, which has been correlated with hydrocarbon groups of chlorophyll or lignine. Coals are very complex rocks, composed by both organic and inorganic phases with variable and complex spectra. More analyses are necessary and carbonaceous standards of graphite, silicon carbide, stuffed carbon silica and diamond at variable experimental conditions have to be developed.

  16. XPS study of Al/polyethylene terephtalate interface

    NASA Astrophysics Data System (ADS)

    Silvain, J. F.; Arzur, A.; Alnot, M.; Ehrhardt, J. J.; Lutgen, P.

    1991-07-01

    X-ray photoelectron spectroscopy has been used to study the formation of the aluminium/polyethylene terephtalate (Al/PET) interface. On control PET, C ls and O ls exhibits the usual behavior of the PET. An extra Cvls appears on Ar+ -bombarded PET whilst the CIV 1s component is decreased by about 10% compared to the control PET. On fluorine-treated PET, the C ls spectra have been decomposed into six different components. After annealing at 500 K, the C ls shows the usual behavior of the PET indicative of a decrease of the fluorine concentration in the polymer surface. Al films up to 64 Å were evaporated with a Knudsen cell. The Al/PET interface exhibits the behavior of the layer by layer growth. A preferential aluminum bonding with PET is observed for CIV1s. The Al evaporated onto PET presents a complex A12p peak decomposed into Almetal and aloxide component. The ratio Almetal/Aloxide changes with the PET and the temperature of the PET during Al deposition. Transmission electron microscopy (TEM) is performed in order to correlate the morphology and the adhesion of the Al film on PET.

  17. Removal of carbon-14 from irradiated graphite

    NASA Astrophysics Data System (ADS)

    Dunzik-Gougar, Mary Lou; Smith, Tara E.

    2014-08-01

    Approximately 250,000 tonnes of irradiated graphite waste exists worldwide and that quantity is expected to increase with decommissioning of Generation II reactors and deployment of Generation IV gas-cooled, graphite moderated reactors. This situation indicates the need for a graphite waste management strategy. On of the isotopes of great concern for long-term disposal of irradiated graphite is carbon-14 (14C), with a half-life of 5730 years. Study of irradiated graphite from some nuclear reactors indicates 14C is concentrated on the outer 5 mm of the graphite structure. The aim of the research presented here is to develop a practical method by which 14C can be removed. In parallel with these efforts, the same irradiated graphite material is being characterized to identify the chemical form of 14C in irradiated graphite. A nuclear-grade graphite, NBG-18, and a high-surface-area graphite foam, POCOFoam®, were exposed to liquid nitrogen (to increase the quantity of 14C precursor) and neutron-irradiated (1013 neutrons/cm2/s). During post-irradiation thermal treatment, graphite samples were heated in the presence of an inert carrier gas (with or without the addition of an oxidant gas), which carries off gaseous products released during treatment. Graphite gasification occurs via interaction with adsorbed oxygen complexes. Experiments in argon only were performed at 900 °C and 1400 °C to evaluate the selective removal of 14C. Thermal treatment also was performed with the addition of 3 and 5 vol% oxygen at temperatures 700 °C and 1400 °C. Thermal treatment experiments were evaluated for the effective selective removal of 14C. Lower temperatures and oxygen levels correlated to more efficient 14C removal.

  18. Microstructure development and interface studies in thick film conductor systems

    NASA Astrophysics Data System (ADS)

    Nagesh, V. K.

    1980-03-01

    A thick film conductor system which used acid treated (.01N HCl) lead borosilicate glass particles with chemically coated metal (silver) film was developed. Using only 40 wt percent metal (silver), sheet resistivities as low as 45 milliohms/sq were obtained. Microstructure was studied. Effect on the acid treatment of the glass particles prior to the metal coating was analyzed. X-ray photoelectron spectra studies showed preferential leaching of lead and boron from the surface of the glass. Good bonding between silver film and the glass was attributed to the oxidation of silver in the presence of oxygen and H+ ions on the glass surface (from acid treatment) and subsequent diffusion of Ag+ into the glass to form a continuous chemical interface. A model to predict sheet resistivities of the new thick film conductors was developed.

  19. Study on the structural evolution of modified phenol formaldehyde resin adhesive for the high-temperature bonding of graphite

    NASA Astrophysics Data System (ADS)

    Wang, Jigang; Jiang, Nan; Guo, Quangui; Liu, Lang; Song, Jinren

    2006-01-01

    A novel adhesive for carbon materials composed of phenol-formaldehyde resin, boron carbide and fumed silica, was prepared. The adhesive property of graphite joints bonded by the above adhesive treated at high-temperatures was tested. Results showed that the adhesive was found to have outstanding high-temperature bonding properties for graphite. The adhesive structure was dense and uniform even after the graphite joints were heat-treated at 1500 °C. Bonding strength was 17.1 MPa. The evolution of adhesive structure was investigated. The results indicated that the addition of the secondary additive, fumed silica, improved the bonding performance greatly. Borosilicate phase with better stability was formed during the heat-treatment process, and the volume shrinkage was restrained effectively, which was responsible for the satisfactory high-temperature bonding performance of graphite.

  20. Adhesion at WC/diamond interfaces - A theoretical study

    SciTech Connect

    Padmanabhan, Haricharan; Rao, M. S. Ramachandra; Nanda, B. R. K.

    2015-06-24

    We investigate the adhesion at the interface of face-centered tungsten-carbide (001) and diamond (001) from density-functional calculations. Four high-symmetry model interfaces, representing different lattice orientations for either side of the interface, are constructed to incorporate different degrees of strain arising due to lattice mismatch. The adhesion, estimated from the ideal work of separation, is found to be in the range of 4 - 7 J m{sup −2} and is comparable to that of metal-carbide interfaces. Maximum adhesion occurs when WC and diamond slabs have the same orientation, even though such a growth induces large epitaxial strain at the interface. From electronic structure calculations, we attribute the adhesion to covalent interaction between carbon p-orbitals as well as partial ionic interaction between the tungsten d- and carbon p-orbitals across the interface.

  1. Graphite Formation in Cast Iron

    NASA Technical Reports Server (NTRS)

    Stefanescu, D. M.

    1985-01-01

    In the first phase of the project it was proven that by changing the ratio between the thermal gradient and the growth rate for commercial cast iron samples solidifying in a Bridgman type furnace, it is possible to produce all types of graphite structures, from flake to spheroidal, and all types of matrices, from ferritic to white at a certain given level of cerium. KC-135 flight experiments have shown that in a low-gravity environment, no flotation occurs even in spheroidal graphite cast irons with carbon equivalent as high as 5%, while extensive graphite flotation occurred in both flake and spheroidal graphite cast irons, in high carbon samples solidified in a high gravity environment. This opens the way for production of iron-carbon composite materials, with high carbon content (e.g., 10%) in a low gravity environment. By using KC-135 flights, the influence of some basic elements on the solidification of cast iron will be studied. The mechanism of flake to spheroidal graphite transition will be studied, by using quenching experiments at both low and one gravity for different G/R ratios.

  2. Fischer-Tropsch-Type Production of Organic Materials in the Solar Nebula: Studies Using Graphite Catalysts and Measuring the Trapping of Noble Gases

    NASA Technical Reports Server (NTRS)

    Nuth, Joseph A., III; Ferguson, Frank T.; Lucas, Christopher; Kimura, Yuki; Hohenberg, Charles

    2009-01-01

    The formation of abundant carbonaceous material in meteorites is a long standing problem and an important factor in the debate on the potential for the origin of life in other stellar systems. The Fischer-Tropsch-type (FTT) catalytic reduction of CO by hydrogen was once the preferred model for production of organic materials in the primitive solar nebula. We have demonstrated that many grain surfaces can catalyze both FTT and HB-type reactions, including amorphous iron and magnesium silicates, pure silica smokes as well as several minerals. Graphite is not a particularly good FTT catalyst, especially compared to iron powder or to amorphous iron silicate. However, like other silicates that we have studied, it gets better with exposure to CO. N2 and H2 over time: e.g., after formation of a macromolecular carbonaceous layer on the surfaces of the underlying gains. While amorphous iron silicates required only 1 or 2 experimental runs to achieve steady state reaction rates, graphite only achieved steady state after 6 or more experiments. We will present results showing the catalytic action of graphite grains increasing with increasing number of experiments and will also discuss the nature of the final "graphite" grains aster completion of our experiments.

  3. Drainage flows: A mountain-plains interface numerical case study

    SciTech Connect

    Poulos, G.S.; Bossert, J.E.

    1992-09-01

    In January/February, 1991 an intensive set of measurements was taken around Rocky Flats near Denver, CO, USA under the auspices of the Atmospheric Studies in Complex Terrain (ASCOT) program. This region of the country is known as the Front Range, and is characterized by a transition from the relatively flat terrain of the Great Plains to the highly varied terrain of the Rocky Mountains. The mountains are oriented north-south and rise from 1800m above mean sea level (MSL) to 3600m MSL at the Continental Divide. Numerous east-west oriented valleys begin in the mountains and end at the plains interface. This terrain makes the Front Range a challenging region to model. One of the more important flows created by this severe terrain are the highly-varying drainage flows found during stagnant, wintertime conditions. These flows can interact with larger-scale mountain and synoptic winds. One goal of the ASCOT 1991 program was to gain insight into multi-scale meteorological interaction by observing wintertime drainage conditions at the mountain-valley-plains interface. ASCOT data included surface and upper air measurements on approximately a 50km{sup 2} scale. Simultaneously, an SF{sub 6} tracer release study was being conducted around Rocky Flats, a nuclear materials production facility. Detailed surface concentration measurements were completed for the SF{sub 6} plume. This combination of meteorological and tracer concentration data provided a unique data set for comparisons of mesoscale and dispersion modeling results with observations and for evaluating our capability to predict pollutant transport. Our approach is to use the Regional Atmospheric Modeling System (RAMS) mesoscale model to simulate atmospheric conditions and the Lagrangian Particle Dispersion Model (LPDM) to model the dispersion of the SF{sub 6}.

  4. Drainage flows: A mountain-plains interface numerical case study

    SciTech Connect

    Poulos, G.S.; Bossert, J.E.

    1992-01-01

    In January/February, 1991 an intensive set of measurements was taken around Rocky Flats near Denver, CO, USA under the auspices of the Atmospheric Studies in Complex Terrain (ASCOT) program. This region of the country is known as the Front Range, and is characterized by a transition from the relatively flat terrain of the Great Plains to the highly varied terrain of the Rocky Mountains. The mountains are oriented north-south and rise from 1800m above mean sea level (MSL) to 3600m MSL at the Continental Divide. Numerous east-west oriented valleys begin in the mountains and end at the plains interface. This terrain makes the Front Range a challenging region to model. One of the more important flows created by this severe terrain are the highly-varying drainage flows found during stagnant, wintertime conditions. These flows can interact with larger-scale mountain and synoptic winds. One goal of the ASCOT 1991 program was to gain insight into multi-scale meteorological interaction by observing wintertime drainage conditions at the mountain-valley-plains interface. ASCOT data included surface and upper air measurements on approximately a 50km{sup 2} scale. Simultaneously, an SF{sub 6} tracer release study was being conducted around Rocky Flats, a nuclear materials production facility. Detailed surface concentration measurements were completed for the SF{sub 6} plume. This combination of meteorological and tracer concentration data provided a unique data set for comparisons of mesoscale and dispersion modeling results with observations and for evaluating our capability to predict pollutant transport. Our approach is to use the Regional Atmospheric Modeling System (RAMS) mesoscale model to simulate atmospheric conditions and the Lagrangian Particle Dispersion Model (LPDM) to model the dispersion of the SF{sub 6}.

  5. Expanded graphite loaded with lanthanum oxide used as a novel adsorbent for phosphate removal from water: performance and mechanism study.

    PubMed

    Zhang, Ling; Gao, Yan; Li, Mengxue; Liu, Jianyong

    2015-01-01

    A novel adsorbent of expanded graphite (EG) loaded with lanthanum oxide (EG-LaO) was prepared for phosphate removal from water and characterized by scanning electron microscopy (SEM) and Fourier transform infrared (FT-IR) spectroscopy. The effects of impregnation time, La3+ concentration, activation time, and activation temperature on the phosphate removal performance of the adsorbent were studied for optimization of preparation conditions. Isothermal adsorption studies suggested that the Langmuir model fits the experimental data well. Adsorption kinetics investigation showed that the pseudo-second-order model fits the experimental data quite well, indicating that the adsorption process is mainly a process of chemical adsorption, and chloride ions compete to react with the active sites of the adsorbent but do not prevent phosphate from adsorbing onto EG-LaO. The adsorption mechanism studies were performed by a pH dependence study of the adsorption amount. The results demonstrated that the probable mechanisms of phosphate adsorption on EG-LaO were electrostatic and Lewis acid-base interactions in addition to ion exchange.

  6. Studies of interfaces and vapors with Optical Second Harmonic Generation

    SciTech Connect

    Mullin, C. S.

    1993-12-01

    Optical Second Harmonic Generation (SHG) has been applied to the study of soap-like molecules adsorbed to the water-air interface. By calibrating the signal from a soluble monolayer with that of an insoluble homolog, absolute measurements of the surface density could be obtained and related to the bulk concentration and surface tension. We could then demonstrate that the soluble surfactant forms a single monolayer at the interface. Furthermore, it deviates significantly from the ideal case in that its activity coefficients are far from 1, yet those coefficients remain constant over a broad range of surface pressures. We present evidence of a first-order phase transition taking place during the adsorption of this soluble monolayer. We consider the effects of the non-ideal behavior and the phase transition on the microscopic model of adsorption, and formulate an alternative to the Langmuir picture of adsorption which is just as simple, yet it can more easily allow for non-ideal behavior. The second half of this thesis considers the problem of SHG in bulk metal vapors. The symmetry of the vapor forbids SHG, yet it has been observed. We consider several models whereby the symmetry of the vapor is broken by the presence of the laser and compare their predictions to new observations we have made using a few-picosecond laser pulse. The two-lobed output beam profile shows that it is the vapor-plus-beam combination whose symmetry is important. The dependence on vapor pressure demonstrates the coherent nature of the radiation, while the dependence on buffer gas pressure hints at a change of the symmetry in time. The time-dependence is measured directly with a preliminary pump-probe measurement. The magnitude and intensity dependence of the signal are also measured. All but one of the models are eliminated by this comparison.

  7. Benchmarking thermal neutron scattering in graphite

    NASA Astrophysics Data System (ADS)

    Zhou, Tong

    A Slowing-Down-Time experiment was designed and performed at the Oak Ridge National Laboratory (ORNL) by using the Oak Ridge Electron Linear Accelerator (ORELA) as a neutron source to study the neutron thermalization in graphite at room and higher temperatures. The MCNP5 code was utilized to simulate the detector responses and help optimize the experimental design including the size of the graphite assembly, furnace, shielding system and detector position. To facilitate such analysis, MCNP5 version 1.30 was modified to enable perturbation calculation using point detector type tallies. By using the modified MCNP5 code, the sensitivity of the experimental models to the graphite total thermal neutron cross-sections was studied to optimize the design of the experiment. Measurements of slowing-down-time spectrum in graphite were performed at room temperature for a 70x70x70 cm graphite pile by using a Li-6 scintillator and a U-235 fission counter at different locations. The measurements were directly compared to Monte Carlo simulations that use different graphite thermal neutron scattering cross-section libraries. Simulations based on the ENDF/B-VI graphite library were found to have a 30%-40% disagreement with the measurements. In addition to the graphite SDT experiment, which provided the data in the energy region above the graphite Bragg-cutoff energy, transmission experiments were performed for different types of graphite samples using the NIST 8.9 A beam (located at NG-6) to investigating the energy region below the Bragg-cutoff energy. Measurements confirmed that reactor grade graphite, which is a two phase material (crystalline graphite and binder (amorphous-like) carbon), has different thermal neutron scattering cross section from pyrolytic graphite (crystalline graphite). The experiments presented in this work compliment each other and provide an experimental data set which can be used to benchmark graphite thermal neutron scattering cross section libraries that

  8. Neutron irradiation damage of nuclear graphite studied by high-resolution transmission electron microscopy and Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Krishna, R.; Jones, A. N.; McDermott, L.; Marsden, B. J.

    2015-12-01

    Nuclear graphite components are produced from polycrystalline artificial graphite manufacture from a binder and filler coke with approximately 20% porosity. During the operational lifetime, nuclear graphite moderator components are subjected to fast neutron irradiation which contributes to the change of material and physical properties such as thermal expansion co-efficient, young's modulus and dimensional change. These changes are directly driven by irradiation-induced changes to the crystal structure as reflected through the bulk microstructure. It is therefore of critical importance that these irradiation changes and there implication on component property changes are fully understood. This work examines a range of irradiated graphite samples removed from the British Experimental Pile Zero (BEPO) reactor; a low temperature, low fluence, air-cooled Materials Test Reactor which operated in the UK. Raman spectroscopy and high-resolution transmission electron microscopy (HRTEM) have been employed to characterise the effect of increased irradiation fluence on graphite microstructure and understand low temperature irradiation damage processes. HRTEM confirms the structural damage of the crystal lattice caused by irradiation attributed to a high number of defects generation with the accumulation of dislocation interactions at nano-scale range. Irradiation-induced crystal defects, lattice parameters and crystallite size compared to virgin nuclear graphite are characterised using selected area diffraction (SAD) patterns in TEM and Raman Spectroscopy. The consolidated 'D'peak in the Raman spectra confirms the formation of in-plane point defects and reflected as disordered regions in the lattice. The reduced intensity and broadened peaks of 'G' and 'D' in the Raman and HRTEM results confirm the appearance of turbulence and disordering of the basal planes whilst maintaining their coherent layered graphite structure.

  9. Multiaxial graphite test specimen

    SciTech Connect

    1988-09-01

    A multiaxial test program is to be conducted by Oak Ridge National Laboratory (ORNL) on the core component graphite. The objectives of the tests are to obtain failure data under uniaxial and biaxial states of stress in order to construct a failure surface in a two-dimensional stress space. These data will be used in verifying the accuracy of the maximum stress failure theory being proposed for use in designing the core graphite components. Tubular specimens are proposed to be used and are either loaded axially and/or subjected to internal pressure. This report includes a study on three specimen configurations. The conclusions of that study indicate that an elliptical transition geometry procedures the smallest discontinuity effects. Several loading combustions were studied using the elliptical transition specimen. The primary purpose is to establish the location of the highest stress state and its relation to the gage section for all of the loading conditions. The tension/internal pres sure loading condition (1:1) indicated that the high stress area is just outside the gage section but still should be acceptable. 5 refs., 18 figs.

  10. A general framework for characterizing studies of brain interface technology.

    PubMed

    Mason, S G; Jackson, M M Moore; Birch, G E

    2005-11-01

    The development of brain interface (BI) technology continues to attract researchers with a wide range of backgrounds and expertise. Though the BI community is committed to accurate and objective evaluation of methods, systems, and technology, the very diversity of the methods and terminology used in the field hinders understanding and impairs technology cross-fertilization and cross-group validation of findings. Underlying this dilemma is a lack of common perspective and language. As seen in our previous works in this area, our approach to remedy this problem is to propose language in the form of taxonomy and functional models. Our intent is to document and validate our best thinking in this area and publish a perspective that will stimulate discussion. We encourage others to do the same with the belief that focused discussion on language issues will accelerate the inherently slow natural evolution of language selection and thus alleviate related problems. In this work, we propose a theoretical framework for describing BI-technology-related studies. The proposed framework is based on the theoretical concepts and terminology from classical science, assistive technology development, human-computer interaction, and previous BI-related works. Using a representative set of studies from the literature, the proposed BI study framework was shown to be complete and appropriate perspective for thoroughly characterizing a BI study. We have also demonstrated that this BI study framework is useful for (1) objectively reviewing existing BI study designs and results, (2) comparing designs and results of multiple BI studies, (3) designing new studies or objectively reporting BI study results, and (4) facilitating intra- and inter-group communication and the education of new researchers. As such, it forms a sound and appropriate basis for community discussion.

  11. Pyrolytic graphite collector development program

    NASA Technical Reports Server (NTRS)

    Wilkins, W. J.

    1982-01-01

    Pyrolytic graphite promises to have significant advantages as a material for multistage depressed collector electrodes. Among these advantages are lighter weight, improved mechanical stiffness under shock and vibration, reduced secondary electron back-streaming for higher efficiency, and reduced outgassing at higher operating temperatures. The essential properties of pyrolytic graphite and the necessary design criteria are discussed. This includes the study of suitable electrode geometries and methods of attachment to other metal and ceramic collector components consistent with typical electrical, thermal, and mechanical requirements.

  12. Fundamental Studies of Low Velocity Impact Resistance of Graphite Fiber Reinforced Polymer Matrix Composites. Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Bowles, K. J.

    1985-01-01

    A study was conducted to relate the impact resistance of graphite fiber reinforced composites with matrix properties through gaining an understanding of the basic mechanics involved in the deformation and fracture process, and the effect of the polymer matrix structure on these mechanisms. It was found that the resin matrix structure influences the composite impact resistance in at least two ways. The integration of flexibilizers into the polymer chain structure tends to reduce the T sub g and the mechanical properties of the polymer. The reduction in the mechanical properties of the matrix does not enhance the composite impact resistance because it allows matrix controlled failure to initiate impact damage. It was found that when the instrumented dropweight impact tester is used as a means for assessing resin toughness, the resin toughness is enhanced by the ability of the clamped specimen to deflect enough to produce sufficient membrane action to support a significant amount of the load. The results of this study indicate that crossplied composite impact resistance is very much dependent on the matrix mechanical properties.

  13. Kinetics of the Formation of Intercalation Compounds in Crystalline Graphite

    NASA Technical Reports Server (NTRS)

    Sharma, P. K.; Hickey, G. S.

    1995-01-01

    Crystalline graphite has a structure that can be best described as an ordered stack of flat aromatic layers. It is known to form intercalation compounds with bromine and nitric acid. Their formation was studied using thermal measurements and analytical techniques. Samples of graphite treated with either bromine or nitric acid were prepared by contacting these reagents with powdered graphite.

  14. Producing graphite with desired properties

    NASA Technical Reports Server (NTRS)

    Dickinson, J. M.; Imprescia, R. J.; Reiswig, R. D.; Smith, M. C.

    1971-01-01

    Isotropic or anisotropic graphite is synthesized with precise control of particle size, distribution, and shape. The isotropic graphites are nearly perfectly isotropic, with thermal expansion coefficients two or three times those of ordinary graphites. The anisotropic graphites approach the anisotropy of pyrolytic graphite.

  15. Interphase tailoring in graphite-epoxy composites

    NASA Technical Reports Server (NTRS)

    Subramanian, R. V.; Sanadi, A. R.; Crasto, A. S.

    1988-01-01

    The fiber-matrix interphase in graphite fiber-epoxy matrix composites is presently modified through the electrodeposition of a coating of the polymer poly(styrene-comaleic anhydride), or 'SMA' on the graphite fibers; optimum conditions have been established for the achievement of the requisite thin, uniform coatings, as verified by SEM. A single-fiber composite test has shown the SMA coating to result in an interfacial shear strength to improve by 50 percent over commercially treated fibers without sacrifice in impact strength. It is suggested that the epoxy resin's superior penetration into the SMA interphase results in a tougher fiber/matrix interface which possesses intrinsic energy-absorbing mechanisms.

  16. Brain-computer interfacing under distraction: an evaluation study

    NASA Astrophysics Data System (ADS)

    Brandl, Stephanie; Frølich, Laura; Höhne, Johannes; Müller, Klaus-Robert; Samek, Wojciech

    2016-10-01

    Objective. While motor-imagery based brain-computer interfaces (BCIs) have been studied over many years by now, most of these studies have taken place in controlled lab settings. Bringing BCI technology into everyday life is still one of the main challenges in this field of research. Approach. This paper systematically investigates BCI performance under 6 types of distractions that mimic out-of-lab environments. Main results. We report results of 16 participants and show that the performance of the standard common spatial patterns (CSP) + regularized linear discriminant analysis classification pipeline drops significantly in this ‘simulated’ out-of-lab setting. We then investigate three methods for improving the performance: (1) artifact removal, (2) ensemble classification, and (3) a 2-step classification approach. While artifact removal does not enhance the BCI performance significantly, both ensemble classification and the 2-step classification combined with CSP significantly improve the performance compared to the standard procedure. Significance. Systematically analyzing out-of-lab scenarios is crucial when bringing BCI into everyday life. Algorithms must be adapted to overcome nonstationary environments in order to tackle real-world challenges.

  17. Chemisorption of SO 2 on graphite surface: A theoretical ab initio and ideal lattice gas model study

    NASA Astrophysics Data System (ADS)

    Pliego, Josefredo R.; Resende, Stella M.; Humeres, Eduardo

    2005-07-01

    The first step of the reaction of SO 2 with the graphite surface, corresponding to the chemisorption process, was investigated at ab initio MP2/6-31G(d)//HF/6-31G(d) level of theory using pyrene and its dehydrogenated derivatives as models. We have considered three possible adsorption sites: the insaturation of the fused aromatic rings (basal plane), the benzyne structure of the armchair edge and the triplet biradical species of the zigzag edge. Our results show that the adsorption on the fused aromatic rings is very unfavorable, with adsorption energies positive by 80-90 kcal mol -1. On the other side, the adsorption on the armchair edge have energies in the range of -5 to -51 kcal mol -1, while the adsorption on the zigzag edge is the most favorable, with energies of -61 to -100 kcal mol -1. Adsorption thermodynamics data were obtained from ab initio calculations combined with an ideal lattice gas model, which leads to a Langmuir like adsorption isotherm. At 900 °C, corresponding to the experimental conditions, only the zigzag edge will be fully covered with SO 2 molecules, which bound to the surface through two C-O bonds, forming a five member ring, or one C-O and one C-S bond through a four member ring. The present study can be relevant for SO 2 adsorption on carbon nanotubes.

  18. Voltammetric studies of Azathioprine on the surface of graphite electrode modified with graphene nanosheets decorated with Ag nanoparticles.

    PubMed

    Asadian, Elham; Iraji Zad, Azam; Shahrokhian, Saeed

    2016-01-01

    By using graphene nanosheets decorated with Ag nanoparticles (AgNPs-G) as an effective approach for the surface modification of pyrolytic graphite electrode (PGE), a sensing platform was fabricated for the sensitive voltammetric determination of Azathioprine (Aza). The prepared AgNPs-G nanosheets were characterized using transmission electron microscopy (TEM), X-ray diffraction (XRD), UV-vis and Raman spectroscopy techniques. The electrochemical behavior of Aza was investigated by means of cyclic voltammetry. Comparing to the bare PGE, a remarkable enhancement was observed in the response characteristics of Aza on the surface of the modified electrode (AgNPs-G/PGE) as well as a noticeable decrease in its reduction overpotential. These results can be attributed to the incredible enlargement in the microscopic surface area of the electrode due to the presence of graphene nanosheets together with strong adsorption of Aza on its surface. The effect of experimental parameters such as accumulation time, the amount of modifier suspension and pH of the supporting electrolyte were also optimized toward obtaining the maximum sensitivity. Under the optimum conditions, the calibration curve studies demonstrated that the peak current increased linearly with Aza concentrations in the range of 7 × 10(-7) to 1 × 10(-4)mol L(-1) with the detection limit of 68 nM. Further experiments revealed that the modified electrode can be successfully applied for the accurate determination of Aza in pharmaceutical preparations.

  19. A coupled thermal and electrochemical study of lithium-ion battery cooled by paraffin/porous-graphite-matrix composite

    NASA Astrophysics Data System (ADS)

    Greco, Angelo; Jiang, Xi

    2016-05-01

    Lithium-ion (Li-ion) battery cooling using a phase change material (PCM)/compressed expanded natural graphite (CENG) composite is investigated, for a cylindrical battery cell and for a battery module scale. An electrochemistry model (average model) is coupled to the thermal model, with the addition of a one-dimensional model for the solution and solid diffusion using the nodal network method. The analysis of the temperature distribution of the battery module scale has shown that a two-dimensional model is sufficient to describe the transient temperature rise. In consequence, a two-dimensional cell-centred finite volume code for unstructured meshes is developed with additions of the electrochemistry and phase change. This two-dimensional thermal model is used to investigate a new and usual battery module configurations cooled by PCM/CENG at different discharge rates. The comparison of both configurations with a constant source term and heat generation based on the electrochemistry model showed the superiority of the new design. In this study, comparisons between the predictions from different analytical and computational tools as well as open-source packages were carried out, and close agreements have been observed.

  20. Inhibition of Oxidation in Nuclear Graphite

    SciTech Connect

    Phil Winston; James W. Sterbentz; William E. Windes

    2013-10-01

    Graphite is a fundamental material of high temperature gas cooled nuclear reactors, providing both structure and neutron moderation. Its high thermal conductivity, chemical inertness, thermal heat capacity, and high thermal structural stability under normal and off normal conditions contribute to the inherent safety of these reactor designs. One of the primary safety issues for a high temperature graphite reactor core is the possibility of rapid oxidation of the carbon structure during an off normal design basis event where an oxidizing atmosphere (air ingress) can be introduced to the hot core. Although the current Generation IV high temperature reactor designs attempt to mitigate any damage caused by a postualed air ingress event, the use of graphite components that inhibit oxidation is a logical step to increase the safety of these reactors. Recent experimental studies of graphite containing between 5.5 and 7 wt% boron carbide (B4C) indicate that oxidation is dramatically reduced even at prolonged exposures at temperatures up to 900°C. The proposed addition of B4C to graphite components in the nuclear core would necessarily be enriched in B-11 isotope in order to minimize B-10 neutron absorption and graphite swelling. The enriched boron can be added to the graphite during billet fabrication. Experimental oxidation rate results and potential applications for borated graphite in nuclear reactor components will be discussed.

  1. Studies of Reduced Graphene Oxide and Graphite Oxide in the Aspect of Their Possible Application in Gas Sensors

    PubMed Central

    Drewniak, Sabina; Muzyka, Roksana; Stolarczyk, Agnieszka; Pustelny, Tadeusz; Kotyczka-Morańska, Michalina; Setkiewicz, Maciej

    2016-01-01

    The paper presents the results of investigations on resistance structures based on graphite oxide (GRO) and graphene oxide (rGO). The subject matter of the investigations was thaw the sensitivity of the tested structures was affected by hydrogen, nitrogen dioxide and carbon dioxide. The experiments were performed at a temperature range from 30 °C to 150 °C in two carrier gases: nitrogen and synthetic air. The measurements were also aimed at characterization of the graphite oxide and graphene oxide. In our measurements we used (among others) techniques such as: Atomic Force Microscopy (AFM); Scanning Electron Microscopy (SEM); Raman Spectroscopy (RS); Fourier Transform Infrared Spectroscopy (FT-IR) and X-ray Photoelectron Microscopy (XPS). The data resulting from the characterizations of graphite oxide and graphene oxide have made it possible to interpret the obtained results from the point of view of physicochemical changes occurring in these structures. PMID:26784198

  2. Studies of Reduced Graphene Oxide and Graphite Oxide in the Aspect of Their Possible Application in Gas Sensors.

    PubMed

    Drewniak, Sabina; Muzyka, Roksana; Stolarczyk, Agnieszka; Pustelny, Tadeusz; Kotyczka-Morańska, Michalina; Setkiewicz, Maciej

    2015-01-01

    The paper presents the results of investigations on resistance structures based on graphite oxide (GRO) and graphene oxide (rGO). The subject matter of the investigations was thaw the sensitivity of the tested structures was affected by hydrogen, nitrogen dioxide and carbon dioxide. The experiments were performed at a temperature range from 30 °C to 150 °C in two carrier gases: nitrogen and synthetic air. The measurements were also aimed at characterization of the graphite oxide and graphene oxide. In our measurements we used (among others) techniques such as: Atomic Force Microscopy (AFM); Scanning Electron Microscopy (SEM); Raman Spectroscopy (RS); Fourier Transform Infrared Spectroscopy (FT-IR) and X-ray Photoelectron Microscopy (XPS). The data resulting from the characterizations of graphite oxide and graphene oxide have made it possible to interpret the obtained results from the point of view of physicochemical changes occurring in these structures. PMID:26784198

  3. Studies of Reduced Graphene Oxide and Graphite Oxide in the Aspect of Their Possible Application in Gas Sensors.

    PubMed

    Drewniak, Sabina; Muzyka, Roksana; Stolarczyk, Agnieszka; Pustelny, Tadeusz; Kotyczka-Morańska, Michalina; Setkiewicz, Maciej

    2016-01-15

    The paper presents the results of investigations on resistance structures based on graphite oxide (GRO) and graphene oxide (rGO). The subject matter of the investigations was thaw the sensitivity of the tested structures was affected by hydrogen, nitrogen dioxide and carbon dioxide. The experiments were performed at a temperature range from 30 °C to 150 °C in two carrier gases: nitrogen and synthetic air. The measurements were also aimed at characterization of the graphite oxide and graphene oxide. In our measurements we used (among others) techniques such as: Atomic Force Microscopy (AFM); Scanning Electron Microscopy (SEM); Raman Spectroscopy (RS); Fourier Transform Infrared Spectroscopy (FT-IR) and X-ray Photoelectron Microscopy (XPS). The data resulting from the characterizations of graphite oxide and graphene oxide have made it possible to interpret the obtained results from the point of view of physicochemical changes occurring in these structures.

  4. Experimental study of an isochorically heated heterogeneous interface. A progress report

    SciTech Connect

    Fernandez, Juan Carlos

    2015-08-20

    Outline of the presentation: Studying possible mix / interface motion between heterogeneous low/high Z interfaces driven by 2-fluid or kinetic plasma effects (Heated to few eV, Sharp (sub µm) interface); Isochoric heating to initialize interface done with Al quasimonoenergetic ion beams on Trident; Have measured isochoric heating in individual materials intended for compound targets; Fielded experiments on Trident to measure interface motion (Gold-diamond, tin-aluminium); Measured heated-sample temperature with streaked optical pyrometry (SOP) (UT Austin led (research contract), SOP tests → heating uniformity Vs thickness on Al foils. Results are being analyzed.

  5. Studies of the magnetic structure at the ferromagnet - antiferromagnet interface

    SciTech Connect

    Scholl, A.; Nolting, F.; Stohr, J.; Luning, J.; Seo, J.W.; Locquet, J.-P.; Anders, S.; Ohldag, H.; Padmore, H.A.

    2001-01-02

    Antiferromagnetic layers are a scientifically challenging component in magneto-electronic devices such as magnetic sensors in hard disk heads, or magnetic RAM elements. In this paper we show that photo-electron emission microscopy (PEEM) is capable of determining the magnetic structure at the interface of ferromagnets and antiferromagnets with high spatial resolution (down to 20 nm). Dichroism effects at the L edges of the magnetic 3d transition metals, using circularly or linearly polarized soft x-rays from a synchrotron source, give rise to a magnetic image contrast. Images, acquired with the PEEM2 experiment at the Advanced Light Source, show magnetic contrast for antiferromagnetic LaFeO{sub 3}, microscopically resolving the magnetic domain structure in an antiferromagnetically ordered thin film for the first time. Magnetic coupling between LaFeO{sub 3} and an adjacent Co layer results in a complete correlation of their magnetic domain structures. From field dependent measurements a unidirectional anisotropy resulting in a local exchange bias of up to 30 Oe in single domains could be deduced. The elemental specificity and the quantitative magnetic sensitivity render PEEM a perfect tool to study magnetic coupling effects in multi-layered thin film samples.

  6. Diffusion Of Hydrophobin Proteins In Solution And Interactions With A Graphite Surface

    SciTech Connect

    Mereghetti, Paolo; Wade, Rebecca C.

    2011-04-21

    Background Hydrophobins are small proteins produced by filamentous fungi that have a variety of biological functions including coating of spores and surface adhesion. To accomplish these functions, they rely on unique interface-binding properties. Using atomic-detail implicit solvent rigid-body Brownian dynamics simulations, we studied the diffusion of HFBI, a class II hydrophobin from Trichoderma reesei, in aqueous solution in the presence and absence of a graphite surface. Results In the simulations, HFBI exists in solution as a mixture of monomers in equilibrium with different types of oligomers. The oligomerization state depends on the conformation of HFBI. When a Highly Ordered Pyrolytic Graphite (HOPG) layer is present in the simulated system, HFBI tends to interact with the HOPG layer through a hydrophobic patch on the protein. Conclusions From the simulations of HFBI solutions, we identify a tetrameric encounter complex stabilized by non-polar interactions between the aliphatic residues in the hydrophobic patch on HFBI. After the formation of the encounter complex, a local structural rearrangement at the protein interfaces is required to obtain the tetrameric arrangement seen in HFBI crystals. Simulations performed with the graphite surface show that, due to a combination of a geometric hindrance and the interaction of the aliphatic sidechains with the graphite layer, HFBI proteins tend to accumulate close to the hydrophobic surface.

  7. Effects of potential models on the adsorption of ethane and ethylene on graphitized thermal carbon black. Study of two-dimensional critical temperature and isosteric heat versus loading.

    PubMed

    Do, D D; Do, H D

    2004-12-01

    Adsorption of ethylene and ethane on graphitized thermal carbon black and in slit pores whose walls are composed of graphene layers is studied in detail to investigate the packing efficiency, the two-dimensional critical temperature, and the variation of the isosteric heat of adsorption with loading and temperature. Here we used a Monte Carlo simulation method with a grand canonical Monte Carlo ensemble. A number of two-center Lennard-Jones (LJ) potential models are investigated to study the impact of the choice of potential models in the description of adsorption behavior. We chose two 2C-LJ potential models in our investigation of the (i) UA-TraPPE-LJ model of Martin and Siepmann for ethane and Wick et al. for ethylene and (ii) AUA4-LJ model of Ungerer et al. for ethane and Bourasseau et al. for ethylene. These models are used to study the adsorption of ethane and ethylene on graphitized thermal carbon black. It is found that the solid-fluid binary interaction parameter is a function of adsorbate and temperature, and the adsorption isotherms and heat of adsorption are well described by both the UA-TraPPE and AUA models, although the UA-TraPPE model performs slightly better. However, the local distributions predicted by these two models are slightly different. These two models are used to explore the two-dimensional condensation for the graphitized thermal carbon black, and these values are 110 K for ethylene and 120 K for ethane.

  8. Phase behavior of mixed Ar-Kr, Ar-Xe and Kr-Xe monolayer films on graphite: a Monte Carlo study.

    PubMed

    Patrykiejew, A

    2013-01-01

    Using Monte Carlo simulation methods in the grand canonical ensemble we have studied the behavior of mixed Ar-Kr, Ar-Xe and Kr-Xe monolayer films on the graphite basal plane. We have considered the adsorption of the lighter component, either argon or krypton, under the condition of a fixed chemical potential of the heavier component (krypton or xenon), as well as on the graphite surface with preadsorbed small amounts of a heavier noble gas. In both types of simulation the composition of the adsorbed layer is not conserved. We discuss the phase behavior of mixed films emerging from both types of 'computer experiment'. We also demonstrate that Monte Carlo simulation allows us to estimate the effects of preadsorbed xenon on the commensurate-incommensurate transition in the krypton monolayer film and gives the results that are in good quantitative agreement with experimental data.

  9. Discrete Element study of granular material - Bumpy wall interface behavior

    NASA Astrophysics Data System (ADS)

    El Cheikh, Khadija; Rémond, Sébastien; Pizette, Patrick; Vanhove, Yannick; Djelal, Chafika

    2016-09-01

    This paper presents a DEM study of a confined granular material sheared between two parallel bumpy walls. The granular material consists of packed dry spherical particles. The bumpiness is modeled by spheres of a given diameter glued on horizontal planes. Different bumpy surfaces are modeled by varying diameter or concentration of glued spheres. The material is sheared by moving the two bumpy walls at fixed velocity. During shear, the confining pressure applied on each bumpy wall is controlled. The effect of wall bumpiness on the effective friction coefficient and on the granular material behavior at the bumpy walls is reported for various shearing conditions. For given bumpiness and confining pressure that we have studied, it is found that the shear velocity does not affect the shear stress. However, the effective friction coefficient and the behavior of the granular material depend on the bumpiness. When the diameter of the glued spheres is larger than about the average grains diameter of the medium, the latter is uniformly sheared and the effective friction coefficient remains constant. For smaller diameters of the glued spheres, the effective friction coefficient increases with the diameter of glued spheres. The influence of glued spheres concentration is significant only for small glued spheres diameters, typically half of average particle diameter of the granular material. In this case, increasing the concentration of glued spheres leads to a decrease in effective friction coefficient and to shear localization at the interface. For different diameters and concentrations of glued spheres, we show that the effect of bumpiness on the effective friction coefficient can be characterized by the depth of interlocking.

  10. Method for producing dustless graphite spheres from waste graphite fines

    DOEpatents

    Pappano, Peter J; Rogers, Michael R

    2012-05-08

    A method for producing graphite spheres from graphite fines by charging a quantity of spherical media into a rotatable cylindrical overcoater, charging a quantity of graphite fines into the overcoater thereby forming a first mixture of spherical media and graphite fines, rotating the overcoater at a speed such that the first mixture climbs the wall of the overcoater before rolling back down to the bottom thereby forming a second mixture of spherical media, graphite fines, and graphite spheres, removing the second mixture from the overcoater, sieving the second mixture to separate graphite spheres, charging the first mixture back into the overcoater, charging an additional quantity of graphite fines into the overcoater, adjusting processing parameters like overcoater dimensions, graphite fines charge, overcoater rotation speed, overcoater angle of rotation, and overcoater time of rotation, before repeating the steps until graphite fines are converted to graphite spheres.

  11. Coating method for graphite

    DOEpatents

    Banker, John G.; Holcombe, Jr., Cressie E.

    1977-01-01

    A method of limiting carbon contamination from graphite ware used in induction melting of uranium alloys is provided comprising coating the graphite surface with a suspension of Y.sub.2 O.sub.3 particles in water containing about 1.5 to 4% by weight sodium carboxymethylcellulose.

  12. Coating method for graphite

    DOEpatents

    Banker, J.G.; Holcombe, C.E. Jr.

    1975-11-06

    A method of limiting carbon contamination from graphite ware used in induction melting of uranium alloys is provided. The graphite surface is coated with a suspension of Y/sub 2/O/sub 3/ particles in water containing about 1.5 to 4 percent by weight sodium carboxymethylcellulose.

  13. Characterization of a superlubricity nanometer interface by Raman spectroscopy

    NASA Astrophysics Data System (ADS)

    Shi, Yunsheng; Yang, Xing; Liu, Bingqi; Dong, Hualai; Zheng, Quanshui

    2016-08-01

    Despite being known for almost two decades, the use of micro-/nano-electromechanical systems in commercial applications remains a challenge because of stiction, friction, and the wear of the interface. Superlubricity may be the solution to these challenges. In this paper, we study factors affecting the realization of superlubricity. Raman spectroscopy and other methods were used to characterize a graphite interface which can realize superlubricity and another graphite interface which cannot realize superlubricity. Raman spectra of the interfaces were obtained with the mapping mode and then processed to obtain the Raman images of the characteristic peaks. The Raman spectra provided the distribution of the surface defects and probed defects. Combined with atomic force microscopy and x-ray photoelectron spectroscopy, the Raman spectra show that the sp3 carbons and carbon–oxygen bond stuck at the edge of the graphite mesa are some of the determinants of large-area superlubricity realization. The characterization results can also be used to understand the friction and wear of large-area superlubricity, which are important for development and application of superlubricity. Furthermore, the methods used in this study are useful techniques and tools for the mechanism analysis of other nanometer interfaces.

  14. Study of lumineers' interfaces by means of optical coherence tomography

    NASA Astrophysics Data System (ADS)

    de Andrade Borges, Erica; Fernandes Cassimiro-Silva, Patrícia; Osório Fernandes, Luana; Leônidas Gomes, Anderson Stevens

    2015-06-01

    OCT has been used to evaluate dental materials, and is employed here to evaluate lumineers for the first time. Lumineers are used as esthetical indirect restoration, and after wearing and aging, several undesirable features such as gaps, bubbles and mismatch can appear in which would only be seen by invasive analysis. The OCT (spectral domain SD-OCT, 930nm central wavelength) was used to evaluate noninvasively the lumineer- cement-tooth interface. We analyzed 20 specimens of lumineers-teeth that were prepared in bovine teeth and randomly allocated in 4 experimental groups (n=5) with two different cementation techniques and two different types of cementing agent (RelyX U200 and RelyX Veneer, 3M ESPE, with the adhesive recommended by the manufacture). The lumineers were made of lithium disilicate and obtained using a vacuum injection technique. The analysis was performed by using 2D and 3D OCT images, obtained before and after cementing and the thermal cycling process to simulate thermal stress in a oral cavity. Initial measurements showed that the SD-OCT was able to see through the 500μm thick lumineer, as delivered by the fabricant, and internal stress was observed. Failures were found in the cementing process and also after ageing simulation by thermal cycling. The adhesive failures as bubbles, gaps and degradation of the cementation line are the natural precursors of other defects reported by several studies of clinical follow-up (detachments, fractures and cracks). Bubble dimensions ranging from 146 μm to 1427 μm were measured and the OCT was validated as an investigative and precise tool for evaluation of the lumineer-cement-tooth.

  15. Aspects of faceting in the study of percipitate interfaces

    SciTech Connect

    Dahmen, U.; Witcomb, M.J.; Westmacott, K.H.

    1989-07-01

    The role of faceting in the formation of interface structures between a precipitate and its matrix is considered and illustrated with TEM observations on a number of different alloy systems. Crystal symmetry and elastic constraints from the solid matrix are shown to be important factors in the development of morphologies and interfacial structures. 14 refs., 9 figs.

  16. Theoretical study on wettability of graphene/water interface

    NASA Astrophysics Data System (ADS)

    Ishimoto, Takayoshi

    2015-12-01

    We analyzed the interaction energy between water clusters and graphene model compound by using density functional theory. The mono- and multi-layer interaction of water on graphene models are regarded as the low and high contact angles, which correspond to the wettability of interface, respectively. We clearly found the size dependency of water molecules on graphene model compound for the wettability.

  17. Swift heavy ion-induced radiation damage in isotropic graphite studied by micro-indentation and in-situ electrical resistivity

    NASA Astrophysics Data System (ADS)

    Hubert, Christian; Voss, Kay Obbe; Bender, Markus; Kupka, Katharina; Romanenko, Anton; Severin, Daniel; Trautmann, Christina; Tomut, Marilena

    2015-12-01

    Due to its excellent thermo-physical properties and radiation hardness, isotropic graphite is presently the most promising material candidate for new high-power ion accelerators which will provide highest beam intensities and energies. Under these extreme conditions, specific accelerator components including production targets and beam protection modules are facing the risk of degradation due to radiation damage. Ion-beam induced damage effects were tested by irradiating polycrystalline, isotropic graphite samples at the UNILAC (GSI, Darmstadt) with 4.8 MeV per nucleon 132Xe, 150Sm, 197Au, and 238U ions applying fluences between 1 × 1011 and 1 × 1014 ions/cm2. The overall damage accumulation and its dependence on energy loss of the ions were studied by in situ 4-point resistivity measurements. With increasing fluence, the electric resistivity increases due to disordering of the graphitic structure. Irradiated samples were also analyzed off-line by means of micro-indentation in order to characterize mesoscale effects such as beam-induced hardening and stress fields within the specimen. With increasing fluence and energy loss, hardening becomes more pronounced.

  18. Grand canonical monte carlo simulation study of methane adsorption at an open graphite surface and in slit-like carbon pores at 273 K.

    PubMed

    Kowalczyk, Piotr; Tanaka, Hideki; Kaneko, Katsumi; Terzyk, Artur P; Do, Duong D

    2005-06-01

    Grand canonical Monte Carlo (GCMC) simulation was used for the systematic investigation of the supercritical methane adsorption at 273 K on an open graphite surface and in slit-like micropores of different sizes. For both considered adsorption systems the calculated excess adsorption isotherms exhibit a maximum. The effect of the pore size on the maximum surface excess and isosteric enthalpy of adsorption for methane storage at 273 K is discussed. The microscopic detailed picture of methane densification near the homogeneous graphite wall and in slit-like pores at 273 K is presented with selected local density profiles and snapshots. Finally, the reliable pore size distributions, obtained in the range of the microporosity, for two pitch-based microporous activated carbon fibers are calculated from the local excess adsorption isotherms obtained via the GCMC simulation. The current systematic study of supercritical methane adsorption both on an open graphite surface and in slit-like micropores performed by the GCMC summarizes recent investigations performed at slightly different temperatures and usually a lower pressure range by advanced methods based on the statistical thermodynamics.

  19. Effective catalytic media using graphitic nitrogen-doped site in graphene for a non-aqueous Li-O2 battery: A density functional theory study

    NASA Astrophysics Data System (ADS)

    Yun, Kyung-Han; Hwang, Yubin; Chung, Yong-Chae

    2015-03-01

    The cell performance of lithium-oxygen batteries using nitrogen doped graphene as a catalytic cathode has been validated in recent research, but the cathode reaction mechanism of lithium and oxygen still remains unclear. Since the oxygen reduction reaction (ORR) mechanism by ionic lithium and catalytic surface is predicted to be distinct for different defective sites such as graphitic, pyridinic, and pyrrolic, it is necessary to observe the behavior of ionic lithium and oxygen gas at each defective site in nitrogen doped graphene. In this study, density functional theory (DFT) calculations are adopted to analyze at an atomic scale how effectively each defective site acts as a catalytic cathode. Interestingly, unlike pyridinic or pyrrolic N is known to be the most effective catalytic site for ORR in fuel cells. Among the other defective sites, it is found that the graphitic N site is the most effective catalytic media activating ORR by ionic lithium in lithium-oxygen batteries due to the electron accepting the reaction of Li-O formation by the graphitic N site.

  20. Mechanism for direct graphite-to-diamond phase transition

    PubMed Central

    Xie, Hongxian; Yin, Fuxing; Yu, Tao; Wang, Jian-Tao; Liang, Chunyong

    2014-01-01

    Using classical molecular dynamics with a more reliable reactive LCBOPII potential, we have performed a detailed study on the direct graphite-to-diamond phase transition. Our results reveal a new so-called “wave-like buckling and slipping” mechanism, which controls the transformation from hexagonal graphite to cubic diamond. Based on this mechanism, we have explained how polycrystalline cubic diamond is converted from hexagonal graphite, and demonstrated that the initial interlayer distance of compressed hexagonal graphite play a key role to determine the grain size of cubic diamond. These results can broaden our understanding of the high pressure graphite-to-diamond phase transition. PMID:25088720

  1. Computation of dimensional changes in isotropic cesium-graphite reservoirs

    NASA Astrophysics Data System (ADS)

    Smith, Joe N.; Heffernan, Timothy

    1992-01-01

    Cs-graphite reservoirs have been utilized in many operating thermionic converters and TFEs, in both in-core and out-of-core tests. The vapor pressure of cesium over Cs-intercalated graphite is well documented for unirradiated reservoirs. The vapor pressure after irradiation is the subject of on-going study. Dimensional changes due to both intercalation and to neutron irradiation have been quantified only for highly oriented graphite. This paper describes extrapolation of the data for intercalated oriented graphite, to provide a qualitative description of the response of isotropic graphite to exposure to both cesium and neutrons.

  2. Mechanism for direct graphite-to-diamond phase transition.

    PubMed

    Xie, Hongxian; Yin, Fuxing; Yu, Tao; Wang, Jian-Tao; Liang, Chunyong

    2014-08-04

    Using classical molecular dynamics with a more reliable reactive LCBOPII potential, we have performed a detailed study on the direct graphite-to-diamond phase transition. Our results reveal a new so-called "wave-like buckling and slipping" mechanism, which controls the transformation from hexagonal graphite to cubic diamond. Based on this mechanism, we have explained how polycrystalline cubic diamond is converted from hexagonal graphite, and demonstrated that the initial interlayer distance of compressed hexagonal graphite play a key role to determine the grain size of cubic diamond. These results can broaden our understanding of the high pressure graphite-to-diamond phase transition.

  3. Recycling Irradiated Nuclear Graphite - A Greener Path Forward

    SciTech Connect

    Burchell, Timothy D; Pappano, Peter J

    2010-01-01

    Here we report the successful recycle of irradiated graphite to fabricate new nuclear graphite using conventional manufacturing processes (albeit on a on a bench scale). Radiological concerns such as the containment of contamination in industrial scale manufacturing plants, or the release of 14C, were not considered. Moreover, a study of the annealing kinetics was conducted to elucidate the extent of property recovery over a representative temperature range. The goal of the preliminary work reported here was to determine if nuclear graphite, produced through the normal graphite fabrication process, but using crushed, previously irradiated nuclear graphite, could be manufactured with sufficient mechanical integrity to warrant further investigation

  4. Recycling Irradiated Nuclear Graphite - A Greener Path Forward

    SciTech Connect

    Burchell, Timothy D; Pappano, Peter J

    2012-01-01

    Here we report the successful recycle of irradiated graphite to fabricate new nuclear graphite using conventional manufacturing processes (albeit on a bench scale). Radiological concerns such as the containment of contamination in industrial scale manufacturing plants, or the release of 14C, were not considered. Moreover, a study of the annealing kinetics was conducted to elucidate the extent of property recovery over a representative temperature range. The goal of the preliminary work reported here was to determine if nuclear graphite, produced through the normal graphite fabrication process, but using crushed, previously irradiated nuclear graphite could be manufactured with sufficient mechanical integrity to warrant further investigation.

  5. Mephisto - Research equipment for the study of solid/liquid interface destabilization in metal alloys

    NASA Astrophysics Data System (ADS)

    Favier, J. J.; Malmejac, Y.; Praizey, J. P.; Cambon, G.; Barillot, R.; Changeart, F. J.

    1982-09-01

    Preliminary results of a feasiblity study of space apparatus intended for solid/liquid destabilization in metal alloys, the Mephisto project, are presented. The phenomena that Mephisto will observe, the parameters it will measure, and the scientific studies that it will perform are stated. A general description is given of the instrument, its experimental tubes, and the experiment process. The environmental and thermal constraints, electrical characteristics, and the characteristics of the different signals are outlined. Finally, the requirements of the payload interfaces on which the equipment will be mounted are set forth, including mechanical/geometrical interfaces, thermal interfaces, and electrical interfaces.

  6. In depth study of molybdenum silicon compound formation at buried interfaces

    NASA Astrophysics Data System (ADS)

    Zoethout, Erwin; Louis, Eric; Bijkerk, Fred

    2016-09-01

    Angle resolved x-ray photoelectron spectroscopy (ARXPS) has been employed to determine non-destructively the in-depth interface formation during thin film growth. Buried interfaces underneath the nanometer thick layers are probed by identifying the chemical shift of compound materials in photoelectron spectroscopy and using the angular response to quantify the compound amounts from the measured intensities. The thin interfaces in molybdenum-silicon multilayers grown at ambient temperature are investigated. This system is an example of an almost perfect 1D-system, where the interface region is only a small part of the individual layer thicknesses of 3 to 5 nm. Despite the low growth temperature, both the interfaces of this multilayer show layer thickness dependent interface formation. While the silicon-on-molybdenum interface shows a limited interface thickness of 0.4 nm of Mo5Si3, the molybdenum-on-silicon interface shows a more complex evolution. For this interface, the composition of the first 2.0 nm of deposited layer thickness is best described as a molybdenum-silicon compound layer with a molybdenum rich top and a MoSi2 bottom layer. After 2.5 nm of the deposited layer thickness, the molybdenum rich compound at the top has transformed into polycrystalline molybdenum on top of 1.8 nm MoSi2 at the interface. The formation of the 1.8 nm MoSi2 precedes the formation of polycrystalline molybdenum on top. Angle resolved x-ray photoelectron spectroscopy (ARXPS) is shown to be a good tool to study the interface phenomena beneath the nanometer thick top layers. In the case of Mo/Si multilayer mirrors, this ARXPS study shows that the compound formation at the interface accounts for the majority of the extreme ultraviolet reflectance loss.

  7. Studies on Hot-Melt Prepregging on PRM-II-50 Polyimide Resin with Graphite Fibers

    NASA Technical Reports Server (NTRS)

    Shin, E. Eugene; Sutter, James K.; Juhas, John; Veverka, Adrienne; Klans, Ojars; Inghram, Linda; Scheiman, Dan; Papadopoulos, Demetrios; Zoha, John; Bubnick, Jim

    2004-01-01

    A second generation PMR (in situ Polymerization of Monomer Reactants) polyimide resin PMR-II-50, has been considered for high temperature and high stiffness space propulsion composites applications for its improved high temperature performance. As part of composite processing optimization, two commercial prepregging methods: solution vs. hot-melt processes were investigated with M40J fabrics from Toray. In a previous study a systematic chemical, physical, thermal and mechanical characterization of these composites indicated the poor resin-fiber interfacial wetting, especially for the hot-melt process, resulted in poor composite quality. In order to improve the interfacial wetting, optimization of the resin viscosity and process variables were attempted in a commercial hot-melt prepregging line. In addition to presenting the results from the prepreg quality optimization trials, the combined effects of the prepregging method and two different composite cure methods, i.e. hot press vs. autoclave on composite quality and properties are discussed.

  8. Studies on Hot-Melt Prepregging of PMR-II-50 Polyimide Resin with Graphite Fibers

    NASA Technical Reports Server (NTRS)

    Shin, E. Eugene; Sutter, James K.; Juhas, John; Veverka, Adrienne; Klans, Ojars; Inghram, Linda; Scheiman, Dan; Papadopoulos, Demetrios; Zoha, John; Bubnick, Jim

    2003-01-01

    A Second generation PMR (in situ Polymerization of Monomer Reactants) polyimide resin, PMR-II-50, has been considered for high temperature and high stiffness space propulsion composites applications for its improved high temperature performance. As part of composite processing optimization, two commercial prepregging methods: solution vs. hot-melt processes were investigated with M40J fabrics from Toray. In a previous study a systematic chemical, physical, thermal and mechanical characterization of these composites indicated that poor resin-fiber interfacial wetting, especially for the hot-melt process, resulted in poor composite quality. In order to improve the interfacial wetting, optimization of the resin viscosity and process variables were attempted in a commercial hot-melt prepregging line. In addition to presenting the results from the prepreg quality optimization trials, the combined effects of the prepregging method and two different composite cure methods, i.e., hot press vs. autoclave on composite quality and properties are discussed.

  9. Structural change of graphite during electron irradiation

    SciTech Connect

    Koike, J. . Dept. of Mechanical Engineering); Pedraza, D.F. )

    1992-01-01

    Highly oriented pyrolytic graphite was irradiated at room temperature with 300-keV electrons. High resolution transmission electron microscopy and electron energy loss spectroscopy were employed to study the structure of electron-irradiated graphite. Results consistently indicated absence of long-range order periodicity in the basal plane, and loose retention of the c-axis periodicity. Structure was modeled based on a mixture of sixfold and non-sixfold atom rings. Formation of non-sixfold atom rings was related to the observed buckling and discontinuity of the original graphite basal plane.

  10. Structural change of graphite during electron irradiation

    SciTech Connect

    Koike, J.; Pedraza, D.F.

    1992-12-31

    Highly oriented pyrolytic graphite was irradiated at room temperature with 300-keV electrons. High resolution transmission electron microscopy and electron energy loss spectroscopy were employed to study the structure of electron-irradiated graphite. Results consistently indicated absence of long-range order periodicity in the basal plane, and loose retention of the c-axis periodicity. Structure was modeled based on a mixture of sixfold and non-sixfold atom rings. Formation of non-sixfold atom rings was related to the observed buckling and discontinuity of the original graphite basal plane.

  11. The effect of thermal exposure on the mechanical properties of aluminum-graphite composites

    NASA Technical Reports Server (NTRS)

    Khan, I. H.

    1976-01-01

    To promote the development of aluminum-graphite composites with improved properties for aerospace applications, composite samples were fabricated by solid-state diffusion bonding of liquid-phase Al-infiltrated Thornel 50 fibers, and their mechanical properties were measured at room temperature in the as-received condition, after temperature exposure and after thermal cycling. The interface structure in aluminum-graphite composites and its effect on the composite properties, the effect of thermal cycling on the tensile properties of the composites, and the characteristics of failures of the composites in tension is discussed. The studied composites exhibited tensile properties corresponding well with those predicted by the rule of mixtures. Thermal cycling between 20 C and 500 C, as well as the formation of the Al4C3 at the Al-graphite interfaces at temperatures above 500 C resulted in degradation of the composite strength. Scanning electron microscopy of fractured surfaces indicated that the relatively weak interface governs the mode of failure in tension.

  12. Feasibility study for future implantable neural-silicon interface devices.

    PubMed

    Al-Armaghany, Allann; Yu, Bo; Mak, Terrence; Tong, Kin-Fai; Sun, Yihe

    2011-01-01

    The emerging neural-silicon interface devices bridge nerve systems with artificial systems and play a key role in neuro-prostheses and neuro-rehabilitation applications. Integrating neural signal collection, processing and transmission on a single device will make clinical applications more practical and feasible. This paper focuses on the wireless antenna part and real-time neural signal analysis part of implantable brain-machine interface (BMI) devices. We propose to use millimeter-wave for wireless connections between different areas of a brain. Various antenna, including microstrip patch, monopole antenna and substrate integrated waveguide antenna are considered for the intra-cortical proximity communication. A Hebbian eigenfilter based method is proposed for multi-channel neuronal spike sorting. Folding and parallel design techniques are employed to explore various structures and make a trade-off between area and power consumption. Field programmable logic arrays (FPGAs) are used to evaluate various structures. PMID:22254974

  13. Interaction of monovalent ions with the water liquid-vapor interface - A molecular dynamics study

    NASA Technical Reports Server (NTRS)

    Wilson, Michael A.; Pohorille, Andrew

    1991-01-01

    Results of molecular dynamics calculations are presented for a series of ions at infinite dilution near the water liquid-vapor interface. The free energies of ion transfer from the bulk to the interface are discussed, as are the accompanying changes of water structure at the surface and ion mobilities as a function of their proximity to the interface. It is shown that simple dielectric models do not provide an accurate description of ions at the water surface. The results of the study should be useful in the development of better models incorporating the shape and molecular structure of the interface.

  14. TEM and XPS studies on CdS/CIGS interfaces

    NASA Astrophysics Data System (ADS)

    Han, Jun-feng; Liao, Cheng; Cha, Li-mei; Jiang, Tao; Xie, Hua-mu; Zhao, Kui; Besland, M.-P.

    2014-12-01

    Copper indium gallium selenide (CIGS) was deposited by metallic precursors sputtering and subsequently submitted to a selenization process. The upper CdS layers were deposited by chemical bath deposition (CBD) technique. The CdS/CIGS interfaces were investigated by Transmission Electron Microscopy (TEM) and X-ray Photoelectron Spectroscopy (XPS). As checked by XPS analysis, the CIGS surface exhibited a hydroxide-terminated CdSe layer when treated with Cd Partial Electrolyte solution (Cd PE). Its thickness was roughly estimated to several nanometers. A 100 nm thick CdS layer was deposited onto CIGS surface. The TEM images revealed a clear and sharp interface between CdS and CIGS. XPS analysis showed a CIGS surface covered by a pinhole free and homogeneous CdS layer. XPS depth profile measurement of the CdS/CIGS interface did not evidence elemental inter-diffusion between the CIGS and CdS layers, in very good agreement with TEM observations.

  15. Friction and wear studies of graphite and a carbon-carbon composite in air and in helium

    SciTech Connect

    Li, C.C.; Sheehan, J.E.

    1980-10-01

    Sliding friction and wear tests were conducted on a commercial isotropic graphite and a carbon-carbon composite in air, purified helium, and a helium environment containing controlled amounts of impurities simulating the primary coolant chemistry of a high-temperature gas-cooled reactor (HTGR). The friction and wear characteristics of the materials investigated were stable and were found to be very sensitive to the testing temperature. In general, friction and wear decreased with increasing temperature in the range from ambient to 950/sup 0/C. This temperature dependence is concluded to be due to chemisorption of impurities to form lubricating films and oxidation at higher temperatures, which reduce friction and wear. Graphite and carbon-carbon composites are concluded to be favorable candidate materials for high-temperature sliding service in helium-cooled reactors.

  16. First-principles study on oxidation of Ge and its interface electronic structures

    NASA Astrophysics Data System (ADS)

    Ono, Tomoya; Saito, Shoichiro; Iwase, Shigeru

    2016-08-01

    We review a series of first-principles studies on the defect generation mechanism and electronic structures of the Ge/GeO2 interface. Several experimental and theoretical studies proved that Si atoms at the Si/SiO2 interface are emitted to release interface stress. In contrast, total-energy calculation reveals that Ge atoms at the Ge/GeO2 interface are hardly emitted, resulting in the low trap density. Even if defects are generated, those at the Ge/GeO2 interface are found to behave differently from those at the Si/SiO2 interface. The states attributed to the dangling bonds at the Ge/GeO2 interface lie below the valence-band maximum of Ge, while those at the Si/SiO2 interface generate the defect state within the band gap of Si. First-principles electron-transport calculation elucidates that this characteristic behavior of the defect states is relevant to the difference in the leakage current through the Si/SiO2 and Ge/GeO2 interfaces.

  17. Formation of metastable graphite inclusions during diamond crystallization in model systems

    NASA Astrophysics Data System (ADS)

    Nechaev, D. V.; Khokhryakov, A. F.

    2014-03-01

    Metastable graphite inclusions have been studied in diamond, forsterite, and orthopyroxene synthesized in silicate-carbonate-fluid and aqueous chloride systems at 6.3-7.5 GPa and 1400-1600°C. The graphite inclusions were studied using optic microscopy and Raman spectroscopy. It has been established that graphite in diamond and liquidus silicate minerals is represented by a highly ordered variety. Depending on parameters of runs, the graphite inclusions are hexagonal, irregular polygonal, or rounded in shape. The morphology of graphite inclusions involving metastable graphite in run products is compared with previously established crystallization sequence of carbon phases. It has been revealed that the protogenetic graphite inclusions in diamond are rounded, and this shape was caused by dissolution of the newly formed graphite. Polygonal graphite inclusions are syngenetic and represented by metastable graphite that crystallized contemporaneously with diamond.

  18. NEW METHOD OF GRAPHITE PREPARATION

    DOEpatents

    Stoddard, S.D.; Harper, W.T.

    1961-08-29

    BS>A method is described for producing graphite objects comprising mixing coal tar pitch, carbon black, and a material selected from the class comprising raw coke, calcined coke, and graphite flour. The mixture is placed in a graphite mold, pressurized to at least 1200 psi, and baked and graphitized by heating to about 2500 deg C while maintaining such pressure. (AEC)

  19. Surface directed reversible imidazole ligation to nickel(ii) octaethylporphyrin at the solution/solid interface: a single molecule level study.

    PubMed

    Nandi, Goutam; Chilukuri, Bhaskar; Hipps, K W; Mazur, Ursula

    2016-07-27

    Scanning tunneling microscopy (STM) is used to study for the first time the reversible binding of imidazole (Im) and nickel(ii) octaethylporphyrin (NiOEP) supported on highly oriented pyrolytic graphite (HOPG) at the phenyloctane/NiOEP/HOPG interface at 25 °C. The ligation of Im to the NiOEP receptor while not observed in fluid solution is readily realized at the solution/HOPG interface. The coordination process scales with increasing Im concentration and can be effectively modeled by the Langmuir isotherm. At room temperature it is determined that the standard free energy of adsorption is ΔGc = -15.8 kJ mol(-1) and the standard enthalpy of adsorption is estimated to be ΔHc ≈ -80 kJ mol(-1). The reactivity of imidazole toward NiOEP adsorbed on HOPG is attributed to charge donation from the graphite stabilizing the Im-Ni bond. This charge transfer pathway is supported by molecular and periodic modeling calculations which indicate that the Im ligand behaves as a π-acceptor. DFT calculations also show that the nickel ion in the Im-NiOEP/HOPG complex is in a singlet ground state. This is surprising since both our calculations and previous experimental studies find a triplet ground state for the five and six coordinated Im-nickel(ii) porphyrins in the gas-phase or in solution. Both the experimental and the theoretical findings provide information that is useful for better understanding of chemical sensing/recognition and catalytic processes that utilize metal-organic complexes adsorbed on surfaces where the reactivity of the metal is moderated by the substrate.

  20. Generation of polygonal gas interfaces by soap film for Richtmyer-Meshkov instability study

    NASA Astrophysics Data System (ADS)

    Wang, Minghu; Si, Ting; Luo, Xisheng

    2012-12-01

    A simple method of generating polygonal gas interfaces is proposed by using the soap film technique. Thin pins are used as angular vertexes to connect the adjacent sides of polygonal soap films in order to avoid the pressure singularities around the vertexes caused by the surface tension. As a demonstration, three polygonal interfaces (i.e., square, equilateral triangle and diamond) are created in the test section of a shock tube. Experiments are then carried out for a planar shock wave (Mach number about 1.2) interacting with air/SF6 polygonal interfaces. Numerical simulations are also performed to validate the proposed method of the interface formation. Wave systems and interface structures can be clearly identified in experimental schlieren images and agree well with the numerical results. It is also indicated that the presences of thin pins and fine chamfers only have limited effects on the interface evolution and can be ignored at the very early stage. Experimental and numerical results about the movement of the distorted interface, the width and height of the interface structures are further compared and good agreement is achieved. It is then concluded that the polygonal interface formed by the proposed method is applicable for the Richtmyer-Meshkov instability study.

  1. Generation of polygonal gas interfaces by soap film for Richtmyer-Meshkov instability study

    NASA Astrophysics Data System (ADS)

    Wang, Minghu; Si, Ting; Luo, Xisheng

    2013-01-01

    A simple method of generating polygonal gas interfaces is proposed by using the soap film technique. Thin pins are used as angular vertexes to connect the adjacent sides of polygonal soap films in order to avoid the pressure singularities around the vertexes caused by the surface tension. As a demonstration, three polygonal interfaces (i.e., square, equilateral triangle and diamond) are created in the test section of a shock tube. Experiments are then carried out for a planar shock wave (Mach number about 1.2) interacting with air/SF6 polygonal interfaces. Numerical simulations are also performed to validate the proposed method of the interface formation. Wave systems and interface structures can be clearly identified in experimental schlieren images and agree well with the numerical results. It is also indicated that the presences of thin pins and fine chamfers only have limited effects on the interface evolution and can be ignored at the very early stage. Experimental and numerical results about the movement of the distorted interface, the width and height of the interface structures are further compared and good agreement is achieved. It is then concluded that the polygonal interface formed by the proposed method is applicable for the Richtmyer-Meshkov instability study.

  2. Atomic-Scale Studies of Defect Interactions with Homo- and Heterophase Interfaces

    NASA Astrophysics Data System (ADS)

    Martínez, Enrique; Uberuaga, Blas P.; Beyerlein, Irene J.

    2016-06-01

    Interfaces are planar metastable defects with singular features capable of controlling diverse material properties, including mechanical response and the microstructure evolution in materials under irradiation. This ability of interfaces to dictate the material response resides inherently in their atomic structure, which controls the interactions of dislocations as well as point and defect clusters with the interface. We recently showed how dislocations nucleated from defect clusters interact with a heterophase interface in Cu-Nb layered composites. We also showed how the ability of the interface to absorb vacancy clusters depends on the atomic structure at the interface. Herein, we elaborate on the effect of the atomic structure on the ability of the interface to absorb dislocations as well as vacancy and self-interstitial defect clusters. We study a physical-vapor-deposited Kurdjumov-Sachs orientation in a Cu-Nb interface and an asymmetric Σ 11 grain boundary in pure Cu. On the one hand, the manner in which dislocations react with the interface depends on the misfit dislocation arrangement, which substantially differs between these two cases. On the other hand, vacancy and self-interstitial clusters are absorbed similarly upon interaction with both structures.

  3. Protection of nuclear graphite toward liquid fluoride salt by isotropic pyrolytic carbon coating

    NASA Astrophysics Data System (ADS)

    He, Xiujie; Song, Jinliang; Xu, Li; Tan, Jie; Xia, Huihao; Zhang, Baoliang; He, Zhoutong; Gao, Lina; Zhou, Xingtai; Zhao, Mingwen; Zhu, Zhiyong; Bai, Shuo

    2013-11-01

    Infiltration studies were performed on uncoated nuclear graphite and isotropic pyrolytic carbon (PyC) coated graphite in molten FLiNaK salt at 650 °C under argon atmosphere at 1, 3 and 5 atm. Uncoated graphite shows weight gain more obviously than that of PyC coated graphite. Nuclear graphite with PyC coating exhibits excellent infiltration resistance in molten salt due to the small open porosity as conformed from scanning electron microscopy and mercury injection experiments.

  4. Water at an electrochemical interface - a simulation study

    SciTech Connect

    Willard, Adam; Reed, Stewart; Madden, Paul; Chandler, David

    2008-08-22

    The results of molecular dynamics simulations of the properties of water in an aqueous ionic solution close to an interface with a model metallic electrode are described. In the simulations the electrode behaves as an ideally polarizable hydrophilic metal, supporting image charge interactions with charged species, and it is maintained at a constant electrical potential with respect to the solution so that the model is a textbook representation of an electrochemical interface through which no current is passing. We show how water is strongly attracted to and ordered at the electrode surface. This ordering is different to the structure that might be imagined from continuum models of electrode interfaces. Further, this ordering significantly affects the probability of ions reaching the surface. We describe the concomitant motion and configurations of the water and ions as functions of the electrode potential, and we analyze the length scales over which ionic atmospheres fluctuate. The statistics of these fluctuations depend upon surface structure and ionic strength. The fluctuations are large, sufficiently so that the mean ionic atmosphere is a poor descriptor of the aqueous environment near a metal surface. The importance of this finding for a description of electrochemical reactions is examined by calculating, directly from the simulation, Marcus free energy profiles for transfer of charge between the electrode and a redox species in the solution and comparing the results with the predictions of continuum theories. Significant departures from the electrochemical textbook descriptions of the phenomenon are found and their physical origins are characterized from the atomistic perspective of the simulations.

  5. Intercalated graphite electrical conductors

    NASA Technical Reports Server (NTRS)

    Banks, B. A.

    1983-01-01

    For years NASA has wanted to reduce the weight of spacecraft and aircraft. Experiments are conducted to find a lightweight synthetic metal to replace copper. The subject of this paper, intercalated graphite, is such a material. Intercalated graphite is made by heating petroleum or coal to remove the hydrogen and to form more covalent bonds, thus increasing the molecular weight. The coal or petroleum eventually turns to pitch, which can then be drawn into a fiber. With continued heating the pitch-based fiber releases hydrogen and forms a carbon fiber. The carbon fiber, if heated sufficiently, becomes more organized in parallel layers of hexagonally arranged carbon atoms in the form of graphite. A conductor of intercalated graphite is potentially useful for spacecraft or aircraft applications because of its low weight.

  6. Neutron diffraction and quasielastic neutron scattering studies of films of intermediate-length alkanes adsorbed on a graphite surface

    NASA Astrophysics Data System (ADS)

    Diama, Armand

    Over the past several years, we have conducted a variety of elastic neutron diffraction and quasielastic neutron scattering experiments to study the structure and the dynamics of films of two intermediate-length alkane molecules (C nH2n+2), adsorbed on a graphite basal-plane surface. The two molecules are the normal alkane n-tetracosane [n-CH 3(CH2)22CH3] and the branched alkane squalane (C30H62 or 2, 6, 10, 15, 19, 23-hexamethyltetracosane) whose carbon backbone is the same length as teteracosane. The temperature dependence of the monolayer structure of tetracosane and squalane was investigated using elastic neutron diffraction and evidence of two phase transitions was observed. Both the low-coverage tetracosane (C 24H50) and squalane (C30H62) monolayers have crystalline-to-"smectic" and "smectic"-to-isotropic fluid phase transitions upon heating. The diffusive motion in the tetracosane and squalane monolayers has been investigated by quasielastic neutron scattering. Two different quasielastic neutron scattering spectrometers at the Center for Neutron Research, National Institute of Standards and Technology (NIST) have been used. The spectrometers differ in both their dynamic range and energy resolution allowing molecular motions to be investigated on time scales in the range 10-13--10 -9 s. On these time scales, we observe evidence of translational, rotational, and intermolecular diffusive motions in the tetracosane and squalane monolayers. We conclude that the molecular diffusive motion in the two monolayers is qualitatively similar. Thus, despite the three methyl sidegroups at each end of the squalane molecule, its monolayer structure, phase transitions, and dynamics are qualitatively similar to that of a monolayer of the unbranched tetracosane molecules. With the higher resolution spectrometer at NIST, we have also investigated the molecular diffusive motion in multilayer tetracosane films. The analysis of our measurements indicates slower diffusive motion in

  7. Apparatus For Chemically Treating Graphite Fibers

    NASA Technical Reports Server (NTRS)

    Stanfield, Clarence E.

    1991-01-01

    New apparatus for chemical treatment of graphite-fiber tow developed. Applies chemical solutions to commercially purchased unsized fibers or in-house-made fibers, to improve following: handling of fibers, interface bonding of fiber to resin matrix during prepreg fabrication, and interface bonding in laminates during molding process. Designed for research and development, with predrying and post-drying in inert environments. Easily adaptable to different chemical solutions and well suited for small-scale, prototype, tailor-made fiber systems. Used to develop fiber/resin composites for aerospace, automotive, marine, and other applications.

  8. A Theoretical Study of Remobilizing Surfactant Retarded Fluid Particle Interfaces

    NASA Technical Reports Server (NTRS)

    Wang, Yanping; Papageorgiou, Dimitri; Maldarelli, Charles

    1996-01-01

    Microgravity processes must rely on mechanisms other than bouyancy to move bubbles or droplets from one region to another in a continuous liquid phase. One suggested method is thermocapillary migration in which a temperature gradient is applied to the continuous phase. When a fluid particle contacts this gradient, one pole of the particle becomes warmer than the opposing pole. The interfacial tension between the drop or bubble phase and the continuous phase usually decreases with temperature. Thus the cooler pole is of higher interfacial tension than the warmer pole, and the interface is tugged in the direction of the cooler end. This thermocapillary or thermally induced Marangoni surface stress causes a fluid streaming in the continuous phase from which develops a viscous shear traction and pressure gradient which together propel the particle in the direction of the warmer fluid. In this paper, we provide a theoretical basis for remobilizing surfactant retarded fluid particle interfaces in an effort to make viable the use of thermocapillary migrations for the management of bubbles and drops in microgravity,

  9. Graphite Technology Development Plan

    SciTech Connect

    W. Windes; T. Burchell; R. Bratton

    2007-09-01

    This technology development plan is designed to provide a clear understanding of the research and development direction necessary for the qualification of nuclear grade graphite for use within the Next Generation Nuclear Plant (NGNP) reactor. The NGNP will be a helium gas cooled Very High Temperature Reactor (VHTR) with a large graphite core. Graphite physically contains the fuel and comprises the majority of the core volume. Considerable effort will be required to ensure that the graphite performance is not compromised during operation. Based upon the perceived requirements the major data needs are outlined and justified from the perspective of reactor design, reatcor performance, or the reactor safety case. The path forward for technology development can then be easily determined for each data need. How the data will be obtained and the inter-relationships between the experimental and modeling activities will define the technology development for graphite R&D. Finally, the variables affecting this R&D program are discussed from a general perspective. Factors that can significantly affect the R&D program such as funding, schedules, available resources, multiple reactor designs, and graphite acquisition are analyzed.

  10. Graphite design handbook

    SciTech Connect

    Ho, F.H.

    1988-09-01

    The objectives of the Graphite Design Handbook (GDH) are to provide and maintain a single source of graphite properties and phenomenological model of mechanical behavior to be used for design of MHTGR graphite components of the Reactor System, namely, core support, permanent side reflector, hexagonal reflector elements, and prismatic fuel elements; to provide a single source of data and material models for use in MHTGR graphite component design, performance, and safety analyses; to present properties and equations representing material models in a form which can be directly used by the designer or analyst without the need for interpretation and is compatible with analytical methods and structural criteria used in the MHTGR project, and to control the properties and material models used in the MHTGR design and analysis to proper Quality Assurance standards and project requirements. The reference graphite in the reactor internal components is the nuclear grade 2020. There are two subgrades of interest, the cylinder nuclear grade and the large rectangular nuclear grade. The large rectangular nuclear grade is molded in large rectangular blocks. It is the reference material for the permanent side reflector and the central column support structure. The cylindrical nuclear grade is isostatically pressed and is intended for use as the core support component. This report gives the design properties for both H-451 and 2020 graphite as they apply to their respective criteria. The properties are presented in a form for design, performance, and safety calculations that define or validate the component design. 103 refs., 20 figs., 19 tabs.

  11. Structural and phonon transmission study of Ge-Au-Ge eutectically bonded interfaces

    SciTech Connect

    Knowlton, W.B. |

    1995-07-01

    This thesis presents a structural analysis and phonon transparency investigation of the Ge-Au-Ge eutectic bond interface. Interface development was intended to maximize the interfacial ballistic phonon transparency to enhance the detection of the dark matter candidate WIMPs. The process which was developed provides an interface which produces minimal stress, low amounts of impurities, and insures Ge lattice continuity through the interface. For initial Au thicknesses of greater than 1,000 {angstrom} Au per substrate side, eutectic epitaxial growth resulted in a Au dendritic structure with 95% cross sectional and 90% planar Au interfacial area coverages. In sections in which Ge bridged the interface, lattice continuity across the interface was apparent. Epitaxial solidification of the eutectic interface with initial Au thicknesses < 500 A per substrate side produced Au agglomerations thereby reducing the Au planar interfacial area coverage to as little as 30%. The mechanism for Au coalescence was attributed to lateral diffusion of Ge and Au in the liquid phase during solidification. Phonon transmission studies were performed on eutectic interfaces with initial Au thicknesses of 1,000 {angstrom}, 500 {angstrom}, and 300 {angstrom} per substrate side. Phonon imaging of eutectically bonded samples with initial Au thicknesses of 300 {angstrom}/side revealed reproducible interfacial percent phonon transmissions from 60% to 70%. Line scan phonon imaging verified the results. Phonon propagation TOF spectra distinctly showed the predominant phonon propagation mode was ballistic. This was substantiated by phonon focusing effects apparent in the phonon imaging data. The degree of interface transparency to phonons and resulting phonon propagation modes correlate with the structure of the interface following eutectic solidification. Structural studies of samples with initial Au thickness of 1,000 {angstrom}/side appear to correspond with the phonon transmission study.

  12. Tribology of alumina-graphite composites

    NASA Astrophysics Data System (ADS)

    Yu, Chih-Yuan

    Alumina-graphite composites, which combine high wear resistance and self-lubricity, are a potential and promising candidate for advanced tribological applications. The processing, mechanical properties and tribology of alumina-graphite composites are discussed. Full density is difficult to achieve by a pressureless sintering route. Porosity of the composites increases with graphite content which causes the strength, modulus of elasticity, and hardness of the composites to decrease. The increased porosity does cause the fracture toughness to slightly increases. Tribology of alumina-graphite composites was studied with a pin-on-disk tribometer with emphasis on the following aspects: the graphite content in both pin and disk, the graphite flake size and the orientation of the graphite flakes. Scan electronic microscopy (SEM) and X-ray diffraction are utilized to examine and characterize the wear debris and the worn surface. Results confirmed that it is necessary to optimize the structure and the supply of lubricant to improve the tribological behavior and that the arrangements of sliding couples also affect the tribology of self-lubricated ceramic composites. Continuous measurements of the friction coefficients were collected at high frequency in an attempt to correlate the tribology of alumina-graphite composites to vibrations introduced by friction. While these measurements indicate that the time frequency behavior of tribology is an important area of study, conclusions regarding the frequency response of different sliding couples could not be definitively stated. Finally, a new concept connecting instantaneous wear coefficient and instantaneous contact stress is proposed for prediction of wear behavior of brittle materials.

  13. Elemental and structural studies at the bone-cartilage interface

    NASA Astrophysics Data System (ADS)

    Bradley, D. A.; Kaabar, W.; Gundogdu, O.

    2012-02-01

    The techniques μProton-Induced X-and γ-ray Emission, μ-PIXE and μ-PIGE, were used to investigate trace and essential element distributions in sections of normal and osteoarthritic (OA) human femoral head. μ-PIGE yielded 2-D mappings of Na and F while Ca, Z, P and S were mapped by μ-PIXE. The concentration of chondroitin sulphate supporting functionality in healthy cartilage is significantly reduced in OA samples. Localised Zn points to osteoblastic/osteoclastic activity at the bone-cartilage interface. Small-angle X-ray scattering applied to decalcified OA-affected tissue showed spatial alterations of collagen fibres of decreased axial periodicity compared to normal collagen type I.

  14. Spin labelled polymers for composite interface studies: Synthesis and characterization

    SciTech Connect

    Snow, A.W.; Pace, M.D.

    1993-12-31

    For the purpose of investigating the epoxy resin composite interface, a series of spin labelled epoxy polymers and model compounds were synthesized and characterized. Linear epoxy polymers were prepared by reacting systematically varying quantities of 4-amino-2,2,6,6-tetramethylpiperid-1-yloxy and cyclohexyl amine with an equivalence bisphenol A diglycidyl ether. The adducts of phenylgylcidyl ether and 4-cumylphenylgylcidyl ether with 4-amino-2,2,6,6-tetramethylpiperid-1-yloxy were synthesized as model compounds. Characterization determined that the 125{degrees}C polymerization temperature did not cause significant decomposition of the nitroxyl free radical, magnetic dilution of the spin label in the epoxy polymer to 3% of the amine repeat units is sufficient for observation of unobscured nitroxyl hyperfine structure in the ESR spectrum of the labelled epoxy polymer in the solid state, and a polymer glass transition temperature of 66{degrees}C as not affected by variation in the amine composition.

  15. First-principles study of the rectifying properties of Pt/TiO2 interface

    NASA Astrophysics Data System (ADS)

    Tamura, Tomoyuki; Ishibashi, Shoji; Terakura, Kiyoyuki; Weng, Hongming

    2009-11-01

    First-principles calculations have been performed to study the interface electronic structure of Pt/TiO2 and to analyze the rectifying property of the Pt/TiO2/Pt structure. For the stoichiometric interface, the metal-induced gap states (MIGS) have amplitude appreciably only at the interface TiO2 . We will show that the presence of MIGS makes oxygen-vacancy formation energy small at the interface. It is therefore expected that the interfacial TiO2 layer can be easily reduced. We will then demonstrate that the Schottky barrier height is strongly affected by oxygen deficiency. According to the present calculation, the interface is of Schottky-contact type for the fully oxidized interfacial TiO2 while it becomes almost ohmic for strongly reduced one.

  16. Numerical and experimental study of the nonlinear interaction between a shear wave and a frictional interface.

    PubMed

    Blanloeuil, Philippe; Croxford, Anthony J; Meziane, Anissa

    2014-04-01

    The nonlinear interaction of shear waves with a frictional interface are presented and modeled using simple Coulomb friction. Analytical and finite difference implementations are proposed with both in agreement and showing a unique trend in terms of the generated nonlinearity. A dimensionless parameter ξ is proposed to uniquely quantify the nonlinearity produced. The trends produced in the numerical study are then validated with good agreement experimentally. This is carried out loading an interface between two steel blocks and exciting this interface with different amplitude normal incidence shear waves. The experimental results are in good agreement with the numerical results, suggesting the simple friction model does a reasonable job of capturing the fundamental physics. The resulting approach offers a potential way to characterize a contacting interface; however, the difficulty in activating that interface may ultimately limit its applicability. PMID:25234971

  17. Shuttle payload interface verification equipment study. Volume 2: Technical document, part 1

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The technical analysis is reported that was performed during the shuttle payload interface verification equipment study. It describes: (1) the background and intent of the study; (2) study approach and philosophy covering all facets of shuttle payload/cargo integration; (3)shuttle payload integration requirements; (4) preliminary design of the horizontal IVE; (5) vertical IVE concept; and (6) IVE program development plans, schedule and cost. Also included is a payload integration analysis task to identify potential uses in addition to payload interface verification.

  18. Structure and functionality of bromine doped graphite.

    PubMed

    Hamdan, Rashid; Kemper, A F; Cao, Chao; Cheng, H P

    2013-04-28

    First-principles calculations are used to study the enhanced in-plane conductivity observed experimentally in Br-doped graphite, and to study the effect of external stress on the structure and functionality of such systems. The model used in the numerical calculations is that of stage two doped graphite. The band structure near the Fermi surface of the doped systems with different bromine concentrations is compared to that of pure graphite, and the charge transfer between carbon and bromine atoms is analyzed to understand the conductivity change along different high symmetry directions. Our calculations show that, for large interlayer separation between doped graphite layers, bromine is stable in the molecular form (Br2). However, with increased compression (decreased layer-layer separation) Br2 molecules tend to dissociate. While in both forms, bromine is an electron acceptor. The charge exchange between the graphite layers and Br atoms is higher than that with Br2 molecules. Electron transfer to the Br atoms increases the number of hole carriers in the graphite sheets, resulting in an increase of conductivity. PMID:23635160

  19. Structure and functionality of bromine doped graphite

    SciTech Connect

    Hamdan, Rashid; Kemper, A. F.; Cao Chao; Cheng, H. P.

    2013-04-28

    First-principles calculations are used to study the enhanced in-plane conductivity observed experimentally in Br-doped graphite, and to study the effect of external stress on the structure and functionality of such systems. The model used in the numerical calculations is that of stage two doped graphite. The band structure near the Fermi surface of the doped systems with different bromine concentrations is compared to that of pure graphite, and the charge transfer between carbon and bromine atoms is analyzed to understand the conductivity change along different high symmetry directions. Our calculations show that, for large interlayer separation between doped graphite layers, bromine is stable in the molecular form (Br{sub 2}). However, with increased compression (decreased layer-layer separation) Br{sub 2} molecules tend to dissociate. While in both forms, bromine is an electron acceptor. The charge exchange between the graphite layers and Br atoms is higher than that with Br{sub 2} molecules. Electron transfer to the Br atoms increases the number of hole carriers in the graphite sheets, resulting in an increase of conductivity.

  20. Structure and functionality of bromine doped graphite.

    PubMed

    Hamdan, Rashid; Kemper, A F; Cao, Chao; Cheng, H P

    2013-04-28

    First-principles calculations are used to study the enhanced in-plane conductivity observed experimentally in Br-doped graphite, and to study the effect of external stress on the structure and functionality of such systems. The model used in the numerical calculations is that of stage two doped graphite. The band structure near the Fermi surface of the doped systems with different bromine concentrations is compared to that of pure graphite, and the charge transfer between carbon and bromine atoms is analyzed to understand the conductivity change along different high symmetry directions. Our calculations show that, for large interlayer separation between doped graphite layers, bromine is stable in the molecular form (Br2). However, with increased compression (decreased layer-layer separation) Br2 molecules tend to dissociate. While in both forms, bromine is an electron acceptor. The charge exchange between the graphite layers and Br atoms is higher than that with Br2 molecules. Electron transfer to the Br atoms increases the number of hole carriers in the graphite sheets, resulting in an increase of conductivity.

  1. Shape-anisotropic particles at curved fluid interfaces and role of Laplace pressure: a computational study.

    PubMed

    Cheng, Tian-Le; Wang, Yu U

    2013-07-15

    The self-assembly behavior of shape-anisotropic particles at curved fluid interfaces is computationally investigated by diffuse interface field approach (DIFA). A Gibbs-Duhem-type thermodynamic formalism is introduced to treat heterogeneous pressure within the phenomenological model, in agreement with Young-Laplace equation. Computer simulations are performed to study the effects of capillary forces (interfacial tension and Laplace pressure) on particle self-assembly at fluid interfaces in various two-dimensional cases. For isolated particles, it is found that the equilibrium liquid interface remains circular and particles of different shapes do not disturb the homogeneous curvature of liquid interface, while the equilibrium position, orientation and stability of a particle at the liquid interface depend on its shape and initial location with respect to the liquid interface. For interacting particles, the curvature of local liquid interfaces is different from the apparent curvature of the particle shell; nevertheless, irrespective of the particle shapes, a particle-coated droplet always tends to deform into a circular morphology under positive Laplace pressure, loses mechanical stability and collapses under negative Laplace pressure, while adapts to any morphology and stays in neutral equilibrium under zero Laplace pressure. Finally, the collective behaviors of particles and Laplace pressure evolution in bicontinuous interfacially jammed emulsion gels (bijels) are investigated.

  2. Study of Tribological Properties of MoS{sub 2}+Graphite Sputtered Composite Coatings under various Environment Pressures

    SciTech Connect

    Liu Yong; Luo Chongtai; Ye Zhuyu; Yang Jianqun; Yang Dezhuang

    2009-01-05

    MoS{sub 2}+Graphite composite coatings were synthesized onto 2024 aluminum alloy substrates by sputtering. The friction and wear test were performed at different environment pressures in vacuum using a ball-on-disk tribometer. The worn surface of the coating was examined by scanning electron microscopy (SEM). The results show that the friction coefficients and wear rate are increasing with increased environment pressure. A second surface layer was formed on the worn surface, that is harder than the original surface. The hardness of this second surface layer is decreased with increasing environment pressure.

  3. A Study of Electrochemical Reduction of Ethylene and PropyleneCarbonate Electrolytes on Graphite Using ATR-FTIR Spectroscopy

    SciTech Connect

    Zhuang, Guorong V.; Yang, Hui; Blizanac, Berislav; Ross Jr.,Philip N.

    2005-05-12

    We present results testing the hypothesis that there is a different reaction pathway for the electrochemical reduction of PC versus EC-based electrolytes at graphite electrodes with LiPF6 as the salt in common. We examined the reduction products formed using ex-situ Fourier Transform Infrared (FTIR) spectroscopy in attenuated total reflection (ATR) geometry. The results show the pathway for reduction of PC leads nearly entirely to lithium carbonate as the solid product (and presumably ethylene gas as the co-product) while EC follows a path producing a mixture of organic and inorganic compounds. Possible explanations for the difference in reaction pathway are discussed.

  4. Thermal boundary conductance enhancement using experimentally achievable nanostructured interfaces - analytical study combined with molecular dynamics simulation.

    PubMed

    Lee, Eungkyu; Zhang, Teng; Hu, Ming; Luo, Tengfei

    2016-06-22

    Interfacial thermal resistance presents great challenges to the thermal management of modern electronics. In this work, we perform an analytical study to enhance the thermal boundary conductance (TBC) of nanostructured interfaces with square-shape pillar arrays, extendable to the characteristic lengths that can be fabricated in practice. As a representative system, we investigate a SiC substrate with the square-shape pillar array combined with epitaxial GaN as the nanostructured interface. By applying a first-order ray tracing method and molecular dynamics simulations to analyze phonon incidence and transmission at the nanostructured interface, we systematically study the impact of the characteristic dimensions of the pillar array on the TBC. Based on the multi-scale analysis we provide a general guideline to optimize the nanostructured interfaces to achieve higher TBC, demonstrating that the optimized TBC value of the nanostructured SiC/GaN interfaces can be 42% higher than that of the planar SiC/GaN interfaces without nanostructures. The model used and results obtained in this study will guide the further experimental realization of nanostructured interfaces for better thermal management in microelectronics. PMID:27275647

  5. Reactions Between Liquid CaO-SiO2 Slags and Graphite Substrates

    NASA Astrophysics Data System (ADS)

    White, Jesse F.; Lee, Jaewoo; Hessling, Oscar; Glaser, Bjoern

    2016-09-01

    In this study, the spreading and infiltration behavior of liquid slag in contact with different grades of graphite was investigated. The wetting and infiltration of slag into graphite were found to be highly material dependent. The reduction of silica by carbon is a characteristic of the system, and it generates gaseous products as evidenced by the observation of bubble formation. The higher the temperature and silica activity of the slag is, the greater the slag infiltration and the faster the rate of spreading. Silicon infiltrated into the graphite substrates much deeper than the oxide phases, indicating gas-phase transport of SiO(g) into the graphite pores. Fundamentally, in this system where the liquid and substrate are reacting, the driving force for spreading is the movement of the system toward a lower total Gibbs energy. Reduction of silica in the slag near the interface may eventually lead to the formation of a solid, CaO-rich layer, slowing down or stopping the reduction reaction.

  6. Development of polyphenylquinoxaline graphite composites

    NASA Technical Reports Server (NTRS)

    Hoggatt, J. T.; Hergenrother, P. M.; Shdo, J. G.

    1973-01-01

    The potential of polyphenylquinoxaline (PPQ)/graphite composites to serve as structural material at 316 C (600 F)has been demonstrated using a block copolymer, BlCo(13), PPQ derivative. Initially, thirteen polyphenylquinoxalines were evaluated. From this work, four candidate polymers were selected for preliminary evaluation as matrices for HMS graphite fiber reinforced composites. The preliminary composite evaluation enabled selection of one of the four polymers for advanced composite preparation and testing. Using an experimentally established cure schedule for each of the four polymers, preliminary laminates of 50% resin volume content, prepared without postcure, were tested for flexure strength and modulus, interlaminar shear strength (short beam), and tensile strength and modulus at ambient temperature. A block copolymer (Bl Co 13) derived from one mole p-bis (phenylglyoxalyl) benzene, one fourth mole 3,3'-diaminobenzidine and three-fourths mole 3,3', 4,4'-tetraminobenzophenone was selected for extensive study. Tensile, flexural, and interlaminar shear values were obtained after aging and testing postcured BlCo(13) laminates at 316 C (600 F). The potential of PPQ/graphite laminates to serve as short term structural materials at temperatures up to 371 C (700 F) was demonstrated through weight loss experiments.

  7. Graphite Gamma Scan Results

    SciTech Connect

    Mark W. Drigert

    2014-04-01

    This report documents the measurement and data analysis of the radio isotopic content for a series of graphite specimens irradiated in the first Advanced Graphite Creep (AGC) experiment, AGC-1. This is the first of a series of six capsules planned as part of the AGC experiment to fully characterize the neutron irradiation effects and radiation creep behavior of current nuclear graphites. The AGC-1 capsule was irradiated in the Advanced Test Reactor (ATR) at INL at approximately 700 degrees C and to a peak dose of 7 dpa (displacements per atom). Details of the irradiation conditions and other characterization measurements performed on specimens in the AGC-1 capsule can be found in “AGC-1 Specimen Post Irradiation Data Report” ORNL/TM 2013/242. Two specimens from six different graphite types are analyzed here. Each specimen is 12.7 mm in diameter by 25.4 mm long. The isotope with the highest activity was 60Co. Graphite type NBG-18 had the highest content of 60Co with an activity of 142.89 µCi at a measurement distance of 47 cm.

  8. Recompressed exfoliated graphite articles

    DOEpatents

    Zhamu, Aruna; Shi, Jinjun; Guo, Jiusheng; Jang, Bor Z

    2013-08-06

    This invention provides an electrically conductive, less anisotropic, recompressed exfoliated graphite article comprising a mixture of (a) expanded or exfoliated graphite flakes; and (b) particles of non-expandable graphite or carbon, wherein the non-expandable graphite or carbon particles are in the amount of between about 3% and about 70% by weight based on the total weight of the particles and the expanded graphite flakes combined; wherein the mixture is compressed to form the article having an apparent bulk density of from about 0.1 g/cm.sup.3 to about 2.0 g/cm.sup.3. The article exhibits a thickness-direction conductivity typically greater than 50 S/cm, more typically greater than 100 S/cm, and most typically greater than 200 S/cm. The article, when used in a thin foil or sheet form, can be a useful component in a sheet molding compound plate used as a fuel cell separator or flow field plate. The article may also be used as a current collector for a battery, supercapacitor, or any other electrochemical cell.

  9. Scanning Electrochemical Microscopy of Carbon Nanomaterials and Graphite.

    PubMed

    Amemiya, Shigeru; Chen, Ran; Nioradze, Nikoloz; Kim, Jiyeon

    2016-09-20

    Carbon materials are tremendously important as electrode materials in both fundamental and applied electrochemistry. Recently, significant attention has been given not only to traditional carbon materials, but also to carbon nanomaterials for various electrochemical applications in energy conversion and storage as well as sensing. Importantly, many of these applications require fast electron-transfer (ET) reactions between a carbon surface and a redox-active molecule in solution. It, however, has not been well understood how heterogeneous ET kinetics at a carbon/solution interface is affected by the electronic structure, defect, and contamination of the carbon surface. Problematically, it is highly challenging to measure the intrinsic electrochemical reactivity of a carbon surface, which is readily passivated by adventitious organic contaminants. This Account summarizes our recent studies of carbon nanomaterials and graphite by scanning electrochemical microscopy (SECM) not only to reveal the fast ET kinetics of simple ferrocene derivatives at their graphitic surfaces, but also to obtain mechanistic insights into their extraordinary electrochemical reactivity. Specifically, we implemented new principles and technologies to reliably and reproducibly enable nanoscale SECM measurements. We took advantage of a new SECM imaging principle to resolve the high reactivity of the sidewall of individual single walled carbon nanotubes. In addition, we developed SECM-based nanogap voltammetry to find that monolayer graphene grown by chemical vapor deposition yields an unprecedentedly high standard ET rate constant, k(0), of ≥25 cm/s, which was >1000 times higher than that reported in the literature. Remarkably, the nonideal asymmetry of paired nanogap voltammograms revealed that the high reactivity of graphitic surfaces is compromised by their contamination with airborne hydrocarbons. Most recently, we protected the clean surface of highly oriented pyrolytic graphite from the

  10. Scanning Electrochemical Microscopy of Carbon Nanomaterials and Graphite.

    PubMed

    Amemiya, Shigeru; Chen, Ran; Nioradze, Nikoloz; Kim, Jiyeon

    2016-09-20

    Carbon materials are tremendously important as electrode materials in both fundamental and applied electrochemistry. Recently, significant attention has been given not only to traditional carbon materials, but also to carbon nanomaterials for various electrochemical applications in energy conversion and storage as well as sensing. Importantly, many of these applications require fast electron-transfer (ET) reactions between a carbon surface and a redox-active molecule in solution. It, however, has not been well understood how heterogeneous ET kinetics at a carbon/solution interface is affected by the electronic structure, defect, and contamination of the carbon surface. Problematically, it is highly challenging to measure the intrinsic electrochemical reactivity of a carbon surface, which is readily passivated by adventitious organic contaminants. This Account summarizes our recent studies of carbon nanomaterials and graphite by scanning electrochemical microscopy (SECM) not only to reveal the fast ET kinetics of simple ferrocene derivatives at their graphitic surfaces, but also to obtain mechanistic insights into their extraordinary electrochemical reactivity. Specifically, we implemented new principles and technologies to reliably and reproducibly enable nanoscale SECM measurements. We took advantage of a new SECM imaging principle to resolve the high reactivity of the sidewall of individual single walled carbon nanotubes. In addition, we developed SECM-based nanogap voltammetry to find that monolayer graphene grown by chemical vapor deposition yields an unprecedentedly high standard ET rate constant, k(0), of ≥25 cm/s, which was >1000 times higher than that reported in the literature. Remarkably, the nonideal asymmetry of paired nanogap voltammograms revealed that the high reactivity of graphitic surfaces is compromised by their contamination with airborne hydrocarbons. Most recently, we protected the clean surface of highly oriented pyrolytic graphite from the

  11. Elemental and structural studies at the bone-cartilage interface

    NASA Astrophysics Data System (ADS)

    Kaabar, W.; Daar, E.; Bunk, O.; Farquharson, M. J.; Laklouk, A.; Bailey, M.; Jeynes, C.; Gundogdu, O.; Bradley, D. A.

    2011-10-01

    Micro-Proton Induced X-ray Emission (μ-PIXE) and Proton Induced Gamma-ray Emission (PIGE) techniques were employed in the investigation of trace and essential elements distribution in normal and diseased human femoral head sections affected by osteoarthritis (OA). PIGE was exploited in the determination of elements of low atomic number z<15 such as Na and F whereas elements with z>15 viz Ca, Z, P and S were determined by PIXE. Accumulations of key elements in the bone and cartilage sections were observed, significant S and Na concentrations being found in the cartilage region particularly in normal tissues. Zn showed enhanced concentrations at the bone-cartilage interface. At a synchrotron facility, small angle X-ray scattering (SAXS) was utilized on a decalcified human femoral head section affected by OA, direct measurements being made of spatial alterations of collagen fibres. The SAXS results showed a slight decrease in the axial periodicity between normal collagen type I and that in diseased tissue in various sites, in contrast with the findings of others.

  12. Modeling Initial Stage of Ablation Material Pyrolysis: Graphitic Precursor Formation and Interfacial Effects

    NASA Technical Reports Server (NTRS)

    Desai, Tapan G.; Lawson, John W.; Keblinski, Pawel

    2010-01-01

    Reactive molecular dynamics simulations are used to study initial stage of pyrolysis of ablation materials and their composites with carbon nanotubes and carbon fibers. The products formed during pyrolysis are characterized and water is found as the primary product in all cases. The water formation mechanisms are analyzed and the value of the activation energy for water formation is estimated. A detailed study on graphitic precursor formation reveals the presence of two temperature zones. In the lower temperature zone (less than 2000 K) polymerization occurs resulting in formation of large, stable graphitic precursors, and in the high temperature zone (greater than 2000 K) polymer scission results in formation of short polymer chains/molecules. Simulations performed in the high temperature zone on the phenolic resin composites (with carbon nanotubes and carbon fibers) shows that the presence of interfaces had no substantial effect on the chain scission rate or the activation energy value for water formation.

  13. Transforming graphite to nanoscale diamonds by a femtosecond laser pulse

    SciTech Connect

    Nueske, R.; Jurgilaitis, A.; Enquist, H.; Harb, M.; Larsson, J.; Fang, Y.; Haakanson, U.

    2012-01-23

    Formation of cubic diamond from graphite following irradiation by a single, intense, ultra-short laser pulse has been observed. Highly oriented pyrolytic graphite (HOPG) samples were irradiated by a 100 fs pulse with a center wavelength of 800 nm. Following laser exposure, the HOPG samples were studied using Raman spectroscopy of the sample surface. In the laser-irradiated areas, nanoscale cubic diamond crystals have been formed. The exposed areas were also studied using grazing incidence x-ray powder diffraction showing a restacking of planes from hexagonal graphite to rhombohedral graphite.

  14. Computational Study of ions binding to the liquid interface of water

    SciTech Connect

    Dang, Liem X. )

    2002-08-12

    We have performed extensive classical molecular dynamics simulations to examine the molecular transport mechanisms of the I-, Br-, Cl- and Na+ ions across the liquid/vapor interface of water. The potentials of mean force were calculated using the constrained mean force approach and polarizable potential models were used to describe the interactions among the species. The simulated potentials of mean force were found to be different, depending on the type of anion. The larger I- and Br- anions bind more strongly to the liquid/vapor interface of water than did the smaller Cl-ion. It is important to note here that most of the gas phase and solution phase properties of the Br- anion are quite similar to that of the Cl- ion. At the interface, however, the interactions of the Br- and Cl- anions with the water interface appeared to be significantly different. We found that the anions approach the interface more closely do than cations. We have also studied the transport mechanism of an I- across the water/dichloromethane interface. The computed potential of mean force showed no well-defined minimum as in the liquid/vapor case, but a stabilization free energy of about?1 kcal/mol near the interface with respect to the bulk liquid was observed. The I- anion carried a water molecule with it as it crossed the interface. This result is in agreement with a recent experimental study on a similar system. Our work differs from earlier contributions in that our potential models have taken many-body effects into account, and in some cases, these effects cannot be neglected. To the best of our knowledge, this work significantly advances our understanding of molecular processes at the liquid interfaces.

  15. Irradiation Creep in Graphite

    SciTech Connect

    Ubic, Rick; Butt, Darryl; Windes, William

    2014-03-13

    An understanding of the underlying mechanisms of irradiation creep in graphite material is required to correctly interpret experimental data, explain micromechanical modeling results, and predict whole-core behavior. This project will focus on experimental microscopic data to demonstrate the mechanism of irradiation creep. High-resolution transmission electron microscopy should be able to image both the dislocations in graphite and the irradiation-induced interstitial clusters that pin those dislocations. The team will first prepare and characterize nanoscale samples of virgin nuclear graphite in a transmission electron microscope. Additional samples will be irradiated to varying degrees at the Advanced Test Reactor (ATR) facility and similarly characterized. Researchers will record microstructures and crystal defects and suggest a mechanism for irradiation creep based on the results. In addition, the purchase of a tensile holder for a transmission electron microscope will allow, for the first time, in situ observation of creep behavior on the microstructure and crystallographic defects.

  16. Coatings for graphite fibers

    NASA Technical Reports Server (NTRS)

    Galasso, F. S.; Scola, D. A.; Veltri, R. D.

    1980-01-01

    Graphite fibers released from composites during burning or an explosion caused shorting of electrical and electronic equipment. Silicon carbide, silica, silicon nitride and boron nitride were coated on graphite fibers to increase their electrical resistances. Resistances as high as three orders of magnitude higher than uncoated fiber were attained without any significant degradation of the substrate fiber. An organo-silicone approach to produce coated fibers with high electrical resistance was also used. Celion 6000 graphite fibers were coated with an organo-silicone compound, followed by hydrolysis and pyrolysis of the coating to a silica-like material. The shear and flexural strengths of composites made from high electrically resistant fibers were considerably lower than the shear and flexural strengths of composites made from the lower electrically resistant fibers. The lower shear strengths of the composites indicated that the coatings on these fibers were weaker than the coating on the fibers which were pyrolyzed at higher temperature.

  17. Cesium diffusion in graphite

    SciTech Connect

    Evans, R.B. III; Davis, W. Jr.; Sutton, A.L. Jr.

    1980-05-01

    Experiments on diffusion of /sup 137/Cs in five types of graphite were performed. The document provides a completion of the report that was started and includes a presentation of all of the diffusion data, previously unpublished. Except for data on mass transfer of /sup 137/Cs in the Hawker-Siddeley graphite, analyses of experimental results were initiated but not completed. The mass transfer process of cesium in HS-1-1 graphite at 600 to 1000/sup 0/C in a helium atmosphere is essentially pure diffusion wherein values of (E/epsilon) and ..delta..E of the equation D/epsilon = (D/epsilon)/sub 0/ exp (-..delta..E/RT) are about 4 x 10/sup -2/ cm/sup 2//s and 30 kcal/mole, respectively.

  18. Processing, Microstructure, and Mechanical Properties of Interpenetrating Biomorphic Graphite/Copper Composites

    NASA Astrophysics Data System (ADS)

    Childers, Amanda Esther Sall

    Composite properties can surpass those of the individual phases, allowing for the development of advanced, high-performance materials. Bio-inspired and naturally-derived materials have garnered attention as composite constituents due to their inherently efficient and complex structures. Wood-derived ceramics, produced by converting a wood precursor into a ceramic scaffold, can exhibit a wide range of microstructures depending on the wood species, including porosity, pore size and distribution, and connectivity. The focus of this work was to investigate the processing, microstructure, and properties of graphite/copper composites produced using wood-derived graphite scaffolds. Graphite/copper composites combine low specific gravity, high thermal conductivity, and tailorable thermal expansion properties, and due to the non-wetting behavior of copper to graphite, offer a unique system in which mechanically bonded interfaces in composites can be studied. Graphite scaffolds were produced from red oak, beech, and pine precursors using a catalytic pyrolyzation method, resulting in varying types of pore networks. Two infiltration methods were investigated to overcome challenges associated with non-wetting systems: copper electrodeposition and pressure-assisted melt infiltration. The phase distributions, constituent properties, interfacial characteristics, mechanical behavior, and load partitioning of these biomorphic graphite/copper composites were investigated, and were correlated to the wood species. The multi-domain feature sizes in the graphite scaffolds resulted in composites with copper relegated not only to the large, connected channels produced from the transport features in the wood, but also within the smaller, lower aspect ratio fibrous regions of the scaffold. Both features contributed to the mechanical behavior of the composites to varying degrees depending on the wood species. A multi-component predictive model also was developed and used to guide the additive

  19. Chromatographic retention behaviour of monosubstituted benzene derivatives on porous graphitic carbon and octadecyl-bonded silica studied using molecular modelling and quantitative structure-retention relationships.

    PubMed

    De Matteis, Cristina I; Simpson, David A; Euerby, Melvin R; Shaw, P Nicholas; Barrett, David A

    2012-03-16

    The retention behaviour of a series of 28 monosubstituted benzenes, representing a diverse range of functional groups and substituent shape, were investigated using porous graphitic carbon (PGC) and octadecyl-bonded silica (ODS) stationary phases. For the majority of analytes retention on PGC was greater than on ODS, and in most cases this effect occurred at both pH 2.5 and 7.0. The main trends observed on PGC (in comparison with ODS) were: (i) similar or reduced retention of low polarity molecules such as the hydrocarbon and halogenated analytes; (ii) increased retention of conjugated analytes with extended planarity; (iii) increased retention of polar and charged species; and (iv) substantial increases in retention for selected polar and negatively charged analytes, including some ionised and unionised acid analytes. Poor retention of positively charged analytes was observed on both stationary phases. Molecular modelling studies have explored the geometry of π-π stacking interactions in retention on PGC and have highlighted the strong retention of large conjugated analytes, with extended planar conformations, which can interact with the graphite surface with cofacial geometry. Quantitative structure-retention relationships showed the importance of hydrophobic (π) and electronic factors (e.g. mean polarisability and LUMO energy) in retention on PGC, whilst retention on ODS was correlated to hydrophobicity (logP and π). PMID:22305358

  20. In operando neutron diffraction study of a commercial graphite/(Ni, Mn, Co) oxide-based multi-component lithium ion battery

    NASA Astrophysics Data System (ADS)

    Nazer, N. S.; Yartys, V. A.; Azib, T.; Latroche, M.; Cuevas, F.; Forseth, S.; Vie, P. J. S.; Denys, R. V.; Sørby, M. H.; Hauback, B. C.; Arnberg, L.; Henry, P. F.

    2016-09-01

    In situ neutron diffraction was employed to investigate the structural evolution of the electrode materials in an ICR 10440 commercial cylindrical lithium-ion battery, which has a discharge capacity of 360 mAh and a nominal voltage of 3.7 V. A three-phase mixture of Li(Ni,Mn,Co)O2, LiCoO2 and LiMn2O4 was identified as the active material of the cathode, with graphite acting as the anode material. The study revealed that the graphite anode underwent structural changes to form a series of insertion-type lithiated derivatives, with up to 12.7% volume expansion for the Li-saturated compound LiC6. The charge-discharge behavior was more complex for the cathode. Here, the charge process was associated with partial lithium depletion from the initially Li-saturated compounds, leading to volume shrinkage for Li(Ni,Mn,Co)O2, in contrast to (Ni,Mn)-free LiCoO2. Electrochemical discharge experiments performed under a fast regime (2 C) at 5, 25 and 45 °C revealed that the discharge capacity followed the trend of an increased diffusion rate of Li+ ions in the electrolyte and Li atoms in both electrodes, being highest for 45 °C. At the lowest tested temperature (5 °C), a rapid drop in the discharge capacity took place using the same kinetic regime.

  1. Computer Simulation study of polyhedral nanoparticle self-assembly at interfaces

    NASA Astrophysics Data System (ADS)

    Thapar, Vikram; Gupta, Unmukt; Escobedo, Fernando

    The self-assembly of polyhedral particles confined to a fluid-fluid interface is studied using Monte Carlo simulations. Several polyhedral shapes are studied, which are selected from a family of truncated cubes which include cubes, cuboctahedra, and octahedra. First we studied the case of hard particles pinned to the interface by restricting their movement in the direction perpendicular to it while allowing their free rotations. Our results suggest that the known solid phases and mesophases of these shapes in the 3D bulk are ``translated'' into variants in 2D space. These insights on 2D entropic self-assembly of polyhedral particles is a first step toward understanding the self-assembly of particles at fluid-fluid interfaces, which is driven by a complex interplay of entropic and enthalpic forces. As a second step we hence studied the particle-surface and particle-particle interactions associated with a fluid-fluid interface using both continuum and polybead models to assess the role of enthalpic interactions in determining the particle orientation behavior with respect to interface. We find that the thickness of the interface can introduce non-trivial effects on the preferential particle orientations.

  2. Improved graphite furnace atomizer

    DOEpatents

    Siemer, D.D.

    1983-05-18

    A graphite furnace atomizer for use in graphite furnace atomic absorption spectroscopy is described wherein the heating elements are affixed near the optical path and away from the point of sample deposition, so that when the sample is volatilized the spectroscopic temperature at the optical path is at least that of the volatilization temperature, whereby analyteconcomitant complex formation is advantageously reduced. The atomizer may be elongated along its axis to increase the distance between the optical path and the sample deposition point. Also, the atomizer may be elongated along the axis of the optical path, whereby its analytical sensitivity is greatly increased.

  3. Constitutive material model for the prediction of stresses in irradiated anisotropic graphite components

    NASA Astrophysics Data System (ADS)

    Tsang, Derek K. L.; Marsden, Barry J.

    2008-10-01

    As well as acting as a moderator and reflector, graphite is used as a structural component in many gas-cooled fission nuclear reactors. Therefore the ability to predict the structural integrity of the many graphite components which make up a graphite reactor core is important in safety case assessments and reactor core life prediction. This involves the prediction of the service life stresses in the individual graphite components. In this paper a material model for the prediction of stresses in anisotropic graphite is presented. The time-integrated non-linear irradiated graphite material model can be used for stress analysis of graphite components subject to both fast neutron irradiation and radiolytic oxidation. As an example a simple stress analysis of a typical reactor graphite component is presented along with a series of sensitivity studies aimed at investigating the importance of the various material property changes involved in graphite component stress prediction.

  4. Study of the P3HT/PCBM interface using photoemission yield spectroscopy

    NASA Astrophysics Data System (ADS)

    Grzibovskis, Raitis; Vembris, Aivars

    2016-04-01

    Photogeneration efficiency and charge carrier extraction from active layer are the parameters that determine the efficiency of organic photovoltaics (OPVs). Devices made of organic materials often consist of thin (up to 100nm) layers. At this thickness different interface effects become more pronounced. The electron affinity and ionization energy shift can affect the charge carrier transport across metal-organic interface which can affect the performance of the entire device. In the case of multilayer OPVs, energy level compatibility at the organic-organic interface is as important. Photoemission yield spectroscopy was used for organic-organic interface study by ionization energy measurements. In this work we studied "sandwich" type samples of two well-known organic photovoltaic materials- poly(3- hexylthiophene-2,5-diyl) (P3HT) and [6,6]-phenyl C61 butyric acid methyl ester (PCBM). Ionization energy changes at the P3HT/PCBM interface depending on PCBM layer thickness were studied. P3HT layer was obtained by spin-coating while PCBM was deposited on the P3HT by thermal evaporation in vacuum. No ionization energy shift of P3HT was observed. On the contrary, PCBM at the interface with P3HT created additional 0.40eV barrier for hole transport from PCBM to P3HT.

  5. Microwave limb sounder, graphite epoxy support structure

    NASA Technical Reports Server (NTRS)

    Pynchon, G.

    1980-01-01

    The manufacturing and processing procedures which were used to fabricate a precision graphite/epoxy support structure for a spherical microwave reflecting surface are described. The structure was made fromm GY-70/930 ultra high modulus graphite prepreg, laminated to achieve an isotropic in plane thermal expansion of less than + or - 0.1 PPM/F. The structure was hand assembled to match the interface of the reflective surface, which was an array of 18 flexure supported, aluminum, spherically contoured tiles. Structural adhesives were used in the final assembly to bond the elements into their final configuration. A eutectic metal coating was applied to the composite surface to reduce dimensional instabilities arising from changes in the composite epoxy moisture content due to environmental effects. Basic materials properties data are reported and the results of a finite element structural analysis are referenced.

  6. Graphite-based photovoltaic cells

    DOEpatents

    Lagally, Max; Liu, Feng

    2010-12-28

    The present invention uses lithographically patterned graphite stacks as the basic building elements of an efficient and economical photovoltaic cell. The basic design of the graphite-based photovoltaic cells includes a plurality of spatially separated graphite stacks, each comprising a plurality of vertically stacked, semiconducting graphene sheets (carbon nanoribbons) bridging electrically conductive contacts.

  7. Advanced EVA system design requirements study: EVAS/space station system interface requirements

    NASA Technical Reports Server (NTRS)

    Woods, T. G.

    1985-01-01

    The definition of the Extravehicular Activity (EVA) systems interface requirements and accomodations for effective integration of a production EVA capability into the space station are contained. A description of the EVA systems for which the space station must provide the various interfaces and accomodations are provided. The discussion and analyses of the various space station areas in which the EVA interfaces are required and/or from which implications for EVA system design requirements are derived, are included. The rationale is provided for all EVAS mechanical, fluid, electrical, communications, and data system interfaces as well as exterior and interior requirements necessary to facilitate EVA operations. Results of the studies supporting these discussions are presented in the appendix.

  8. Graphite Oxidation Simulation in HTR Accident Conditions

    SciTech Connect

    El-Genk, Mohamed

    2012-10-19

    Massive air and water ingress, following a pipe break or leak in steam-generator tubes, is a design-basis accident for high-temperature reactors (HTRs). Analysis of these accidents in both prismatic and pebble bed HTRs requires state-of-the-art capability for predictions of: 1) oxidation kinetics, 2) air helium gas mixture stratification and diffusion into the core following the depressurization, 3) transport of multi-species gas mixture, and 4) graphite corrosion. This project will develop a multi-dimensional, comprehensive oxidation kinetics model of graphite in HTRs, with diverse capabilities for handling different flow regimes. The chemical kinetics/multi-species transport model for graphite burning and oxidation will account for temperature-related changes in the properties of graphite, oxidants (O2, H2O, CO), reaction products (CO, CO2, H2, CH4) and other gases in the mixture (He and N2). The model will treat the oxidation and corrosion of graphite in geometries representative of HTR core component at temperatures of 900°C or higher. The developed chemical reaction kinetics model will be user-friendly for coupling to full core analysis codes such as MELCOR and RELAP, as well as computational fluid dynamics (CFD) codes such as CD-adapco. The research team will solve governing equations for the multi-dimensional flow and the chemical reactions and kinetics using Simulink, an extension of the MATLAB solver, and will validate and benchmark the model's predictions using reported experimental data. Researchers will develop an interface to couple the validated model to a commercially available CFD fluid flow and thermal-hydraulic model of the reactor , and will perform a simulation of a pipe break in a prismatic core HTR, with the potential for future application to a pebble-bed type HTR.

  9. Coatings for Graphite Fibers

    NASA Technical Reports Server (NTRS)

    Galasso, F. S.; Scola, D. A.; Veltri, R. D.

    1980-01-01

    Several approaches for applying high resistance coatings continuously to graphite yarn were investigated. Two of the most promising approaches involved (1) chemically vapor depositing (CVD) SiC coatings on the surface of the fiber followed by oxidation, and (2) drawing the graphite yarn through an organo-silicone solution followed by heat treatments. In both methods, coated fibers were obtained which exhibited increased electrical resistances over untreated fibers and which were not degraded. This work was conducted in a previous program. In this program, the continuous CVD SiC coating process used on HTS fiber was extended to the coating of HMS, Celion 6000, Celion 12000 and T-300 graphite fiber. Electrical resistances three order of magnitude greater than the uncoated fiber were measured with no significant degradation of the fiber strength. Graphite fibers coated with CVD Si3N4 and BN had resistances greater than 10(exp 6) ohm/cm. Lower pyrolysis temperatures were used in preparing the silica-like coatings also resulting in resistances as high as three orders of magnitude higher than the uncoated fiber. The epoxy matrix composites prepared using these coated fibers had low shear strengths indicating that the coatings were weak.

  10. Structural graphitic carbon foams

    SciTech Connect

    Kearns, K.M.; Anderson, H.J.

    1998-12-31

    Graphitic carbon foams are a unique material form with very high structural and thermal properties at a light weight. A process has been developed to produce microcellular, open-celled graphitic foams. The process includes heating a mesophase pitch preform above the pitch melting temperature in a pressurized reactor. At the appropriate time, the pressure is released, the gas nucleates bubbles, and these bubbles grow forming the pitch into the foam structure. The resultant foamed pitch is then stabilized in an oxygen environment. At this point a rigid structure exists with some mechanical integrity. The foam is then carbonized to 800 C followed by a graphitization to 2700 C. The shear action from the growing bubbles aligns the graphitic planes along the foam struts to provide the ideal structure for good mechanical properties. Some of these properties have been characterized for some of the foam materials. It is known that variations of the blowing temperature, blowing pressure and saturation time result in foams of variously sized with mostly open pores; however, the mechanism of bubble nucleation is not known. Therefore foams were blown with various gases to begin to determine the nucleation method. These gases are comprised of a variety of molecular weights as well as a range of various solubility levels. By examining the resultant structures of the foam, differences were noted to develop an explanation of the foaming mechanism.

  11. Graphite technology development plan

    SciTech Connect

    1986-07-01

    This document presents the plan for the graphite technology development required to support the design of the 350 MW(t) Modular HTGR within the US National Gas-Cooled Reactor Program. Besides descriptions of the required technology development, cost estimates, and schedules, the plan also includes the associated design functions and design requirements.

  12. GRAPHITE BONDING METHOD

    DOEpatents

    King, L.D.P.

    1964-02-25

    A process for bonding or joining graphite members together in which a thin platinum foil is placed between the members, heated in an inert atmosphere to a temperature of 1800 deg C, and then cooled to room temperature is described. (AEC)

  13. (Irradiation creep of graphite)

    SciTech Connect

    Kennedy, C.R.

    1990-12-21

    The traveler attended the Conference, International Symposium on Carbon, to present an invited paper, Irradiation Creep of Graphite,'' and chair one of the technical sessions. There were many papers of particular interest to ORNL and HTGR technology presented by the Japanese since they do not have a particular technology embargo and are quite open in describing their work and results. In particular, a paper describing the failure of Minor's law to predict the fatigue life of graphite was presented. Although the conference had an international flavor, it was dominated by the Japanese. This was primarily a result of geography; however, the work presented by the Japanese illustrated an internal program that is very comprehensive. This conference, a result of this program, was better than all other carbon conferences attended by the traveler. This conference emphasizes the need for US participation in international conferences in order to stay abreast of the rapidly expanding HTGR and graphite technology throughout the world. The United States is no longer a leader in some emerging technologies. The traveler was surprised by the Japanese position in their HTGR development. Their reactor is licensed and the major problem in their graphite program is how to eliminate it with the least perturbation now that most of the work has been done.

  14. Deconstructing graphite: graphenide solutions.

    PubMed

    Pénicaud, Alain; Drummond, Carlos

    2013-01-15

    Growing interest in graphene over past few years has prompted researchers to find new routes for producing this material other than mechanical exfoliation or growth from silicon carbide. Chemical vapor deposition on metallic substrates now allows researchers to produce continuous graphene films over large areas. In parallel, researchers will need liquid, large scale, formulations of graphene to produce functional graphene materials that take advantage of graphene's mechanical, electrical, and barrier properties. In this Account, we describe methods for creating graphene solutions from graphite. Graphite provides a cheap source of carbon, but graphite is insoluble. With extensive sonication, it can be dispersed in organic solvents or water with adequate additives. Nevertheless, this process usually creates cracks and defects in the graphite. On the other hand, graphite intercalation compounds (GICs) provide a means to dissolve rather than disperse graphite. GICS can be obtained through the reaction of alkali metals with graphite. These compounds are a source of graphenide salts and also serve as an excellent electronic model of graphene due to the decoupling between graphene layers. The graphenide macroions, negatively charged graphene sheets, form supple two-dimensional polyelectrolytes that spontaneously dissolve in some organic solvents. The entropic gain from the dissolution of counterions and the increased degrees of freedom of graphene in solution drives this process. Notably, we can obtain graphenide solutions in easily processable solvents with low boiling points such as tetrahydrofuran or cyclopentylmethylether. We performed a statistical analysis of high resolution transmission electronic micrographs of graphene sheets deposited on grids from GICs solution to show that the dissolved material has been fully exfoliated. The thickness distribution peaks with single layers and includes a few double- or triple-layer objects. Light scattering analysis of the

  15. Study of compression-loaded and impact-damaged structurally efficient graphite-thermoplastic trapezoidal-corrugation sandwich and semisandwich panels

    NASA Technical Reports Server (NTRS)

    Jegley, Dawn C.

    1992-01-01

    The structural efficiency of compression-loaded trapezoidal-corrugation sandwich and semisandwich composite panels is studied to determine their weight savings potential. Sandwich panels with two identical face sheets and a trapezoidal corrugated core between them and semisandwich panels with a corrugation attached to a single skin are considered. An optimization code is used to find the minimum weight designs for critical compressive load levels ranging from 3000 to 24,000 lb/in. Graphite-thermoplastic panels based on the optimal minimum weight designs were fabricated and tested. A finite element analysis of several test specimens was also conducted. The results of the optimization study, the finite element analysis, and the experiments are presented. The results of testing impact damage panels are also discussed.

  16. A study of interface crack branching in dissimilar anisotropic bimaterial composites including thermal effects

    NASA Astrophysics Data System (ADS)

    Li, Renfu

    The interface crack branching phenomena, including thermal effects, has been investigated by using complex variable method and Stroh's dislocation theory, extended to thermo-elasticity in matrix notation. As one of the most catastrophic failure modes in structures like laminated and sandwich composites in aerospace and marine construction, thin film in electronic packaging, rotators in high speed engine of aircraft and reactor in nuclear power station, the study of interface crack branching has become a topic not only having theoretical importance, but also having practical significance. A unified approach is presented to address the thermoelastic interface crack problems in dissimilar anisotropic bimaterial composites, and a compact closed form solution is formulated by analytical continuation principle of complex analysis. Employing the contour integral method, an explicit solution to the interaction between the dislocations and the interface crack is obtained. By modeling the branched portion as a continuous distribution of the dislocations, the thermoelastic interface crack branching problem is then converted to a set of semi-coupled singular integral equations and solved by Gauss-Jacobi integration schemes. The influence of material property mismatches between the two constituents and the thermal loading effects on the interface crack branching are demonstrated by extensive numerical simulation. Some useful criteria for predicting the interface crack branching growth and guidance for optimal composites design are suggested. Further, a contact model to eliminate the overlapping between the two surfaces of an interface crack is also proposed and some new parameters which could influence the interpenetrating phenomena are also discovered. The technique to extend the current method to three dimensional problems is also outlined. Furthermore, the C++ source code has been implemented to manipulate the complicated complex operations for numerically solving the

  17. Microleakage at the abutment-implant interface of osseointegrated implants: a comparative study.

    PubMed

    Gross, M; Abramovich, I; Weiss, E I

    1999-01-01

    Microleakage can occur at the abutment-implant (A-I) interface in osseointegrated implants and may cause malodor and inflammation of peri-implant tissues. The degree of microleakage at the A-I interface of 5 implant systems was comparatively assessed at varying closing torques. Using colored tracing probes driven by a 2-atm pressure system, the interface microleakage of Brånemark, Sulzer Calcitek, 3i, ITI, and Steri-Oss implants was determined spectrophotometrically. Microleakage through the A-I interface occurred in all systems, with variability between systems, samples, and closing torques. As closing torque increased from 10 Ncm to 20 Ncm to manufacturers' recommended closing torques, microleakage decreased significantly (P < .005) for all systems. Analysis of variance showed significant interaction between closing torques and the time course of microleakage, and between systems and the time course of microleakage (P < .001). The results indicate that fluids and small molecules are capable of passing through the interface of all the A-I assemblies studied. Presumably in an in situ situation, fluids containing bacterial byproducts and nutrients required for bacterial growth may pass through the interface gap, contributing in part to clinically observed malodor and peri-implantitis.

  18. Development of graphite composite adapter for Galileo spacecraft

    NASA Technical Reports Server (NTRS)

    Archer, J. S.; Brown, R. L.; Cowgill, P. J.

    1984-01-01

    This paper discusses the Galileo spacecraft adapter: its interface loads and stiffness capability; configuration design/analysis methodology; verification of buckling margin, local stresses, and mass properties; and the basis for graphite-epoxy material selections and tooling approach, as well as the fabrication, layup, machining, assembly, and drilling processes.

  19. Electrostatic Manipulation of Graphene On Graphite

    NASA Astrophysics Data System (ADS)

    Untiedt, Carlos; Rubio-Verdu, Carmen; Saenz-Arce, Giovanni; Martinez-Asencio, Jesús; Milan, David C.; Moaied, Mohamed; Palacios, Juan J.; Caturla, Maria Jose

    2015-03-01

    Here we report the use of a Scanning Tunneling Microscope (STM) under ambient and vacuum conditions to study the controlled exfoliation of the last layer of a graphite surface when an electrostatic force is applied from a STM tip. In this work we have focused on the study of two parameters: the applied voltage needed to compensate the graphite interlayer attractive force and the one needed to break atomic bonds to produce folded structures. Additionally, we have studied the influence of edge structure in the breaking geometry. Independently of the edge orientation the graphite layer is found to tear through the zig-zag direction and the lifled layer shows a zig-zag folding direction. Molecular Dinamics simulations and DFT calculations have been performed to understand our results, showing a strong correlation with the experiments. Comunidad Valenciana through Prometeo project.

  20. Synchrotron X-ray scattering studies at mineral-water interfaces

    SciTech Connect

    Chiarello, R.P.; Sturchio, N.C.

    1995-03-01

    Synchrotron X-ray scattering techniques provide a powerful tool for the in situ study of atomic scale processes occurring at solid-liquid interfaces. We have applied these techniques to characterize and study reactions at mineral-water interfaces. Here we present two examples. The first is the characterization of the calcite (CaCO{sub 3}) (10{bar 1}4) cleavage surface, in equilibrium with deionized water, by crystal truncation rod measurements. The second is the in situ study of the heteroepitaxial growth of otavite (CdCO{sub 3}) on the calcite (10{bar 1}4) cleavage surface. The results of such studies will lead to significant progress in understanding mineral-water interface geochemistry.

  1. Graphite oxidation and damage under irradiation at high temperatures in an impure helium environment

    NASA Astrophysics Data System (ADS)

    Goodwin, Cameron S.

    The High Temperature Gas-Cooled Reactor (HTGR) is a Generation IV reactor concept that uses a graphite-moderated nuclear reactor with a once-through uranium fuel cycle. In order to investigate the mechanism for corrosion of graphite in HTGRs, the graphite was placed in a similar environment in order to evaluate its resistance to corrosion and oxidation. While the effects of radiation on graphite have been studied in the past, the properties of graphite are largely dependent on the coke used in manufacturing the graphite. There are no longer any of the previously studied graphite types available for use in the HTGR. There are various types of graphite being considered for different uses in the HTGR and all of these graphite types need to be analyzed to determine how radiation will affect them. Extensive characterization of samples of five different types of graphite was conducted. The irradiated samples were analyzed with electron paramagnetic resonance spectroscopy, Raman spectroscopy, x-ray diffraction, x-ray photoelectron spectroscopy and gas chromatography. The results prove a knowledge base for considering the graphite types best suited for use in HTGRs. In my dissertation work graphite samples were gamma irradiated and also irradiated in a mixed field, in order to study the effects of neutron as well as gamma irradiation. Thermal effects on the graphite were also investigated by irradiating the samples at room temperature and at 1000 °C. From the analysi of the samples in this study there is no evidence of substantial damage to the grades of graphite analyzed. This is significant in approving the use of these graphites in nuclear reactors. Should significant damage had occurred to the samples, the use of these grades of graphite would need to be reconsidered. This information can be used to further characterize other grades of nuclear graphite as they become available.

  2. Thermal-expansion hysteresis in graphite/glass composites

    SciTech Connect

    Janas, V.F.

    1988-07-01

    The thermal-expansion hysteresis phenomena in graphite/glass composites was studied. Neat (unfilled) glass and unidirectional composites showed no observable hysteresis, while (0/90) cross-ply composites showed significant residual thermal strain (approx. 20 PPM) after thermal cycling (25 ..-->.. 150 ..-->.. 25/sup 0/C). Multiple thermal cycling of the composite and the strengthening of the fiber/matrix bond were found to greatly reduce the magnitude of the residual thermal strain. Bond strengthening also weakened and embrittled the composite, supporting a fiber-slippage mechanism for hysteresis. Thermal precycling and interface modification are proposed as methods of diminishing the effects of thermal-expansion hysteresis. 11 references, 6 figures, 4 tables.

  3. Atmosphere explorer missions C, D, and E. Spacecraft experiment interface definition study

    NASA Technical Reports Server (NTRS)

    1972-01-01

    The Atmosphere Explorer Missions C, D, & E Spacecraft/Experiment Interface Definition Study is discussed. The objectives of the study included an analysis of the accommodation requirements of the experiments for the three missions, an assessment of the overall effect of these requirements on the spacecraft system design and performance, and the detailed definition of all experiment/spacecraft electrical, mechanical, and environmental interfaces. In addition, the study included the identification and definition of system characteristics required to ensure compatibility with the consolidated STADAN and MSFN communications networks.

  4. Resin/graphite fiber composites

    NASA Technical Reports Server (NTRS)

    Cavano, P. J.; Jones, R. J.; Vaughan, R. W.

    1972-01-01

    High temperature resin matrices suitable for use in advanced graphite fiber composites for jet engine applications were evaluated. A series of planned, sequential screening experiments with resin systems in composite form were performed to reduce the number of candidates to a single A-type polyimide resin that repetitively produced void-free, high strength and modulus composites acceptable for use in the 550 F range for 1000 hours. An optimized processing procedure was established for this system. Extensive mechanical property studies characterized this single system, at room temperature, 500 F, 550 F and 600 F, for various exposure times.

  5. First principles study of band line up at defective metal-oxide interface: oxygen point defects at Al/SiO2 interface

    NASA Astrophysics Data System (ADS)

    Tea, Eric; Huang, Jianqiu; Hin, Celine

    2016-03-01

    The dielectric breakdown at metal-oxide interfaces is a critical electronic device failure mechanism. Electronic tunneling through dielectric layers is a well-accepted explanation for this phenomenon. Theoretical band alignment studies, providing information about tunneling, have already been conducted in the literature for metal-oxide interfaces. However, most of the time materials were assumed defect free. Oxygen vacancies being very common in oxides, their effect on band lineup is of prime importance in understanding electron tunneling in realistic materials and devices. This work explores the effect of oxygen vacancy and oxygen di-vacancy at the Al/SiO2 interface on the band line up within Density Functional Theory using PBE0 hybrid exchange and correlation functional. It is found that the presence of defects at the interface, and their charge state, strongly alters the band line up.

  6. Model studies of Rayleigh instabilities via microdesigned interfaces

    SciTech Connect

    Glaeser, Andreas M.

    2000-10-17

    The energetic and kinetic properties of surfaces play a critical role in defining the microstructural changes that occur during sintering and high-temperature use of ceramics. Characterization of surface diffusion in ceramics is particularly difficult, and significant variations in reported values of surface diffusivities arise even in well-studied systems. Effects of impurities, surface energy anisotropy, and the onset of surface attachment limited kinetics (SALK) are believed to contribute to this variability. An overview of the use of Rayleigh instabilities as a means of characterizing surface diffusivities is presented. The development of models of morphological evolution that account for effects of surface energy anisotropy is reviewed, and the potential interplay between impurities and surface energy anisotropy is addressed. The status of experimental studies of Rayleigh instabilities in sapphire utilizing lithographically introduced pore channels of controlled geometry and crystallography is summarized. Results of model studies indicate that impurities can significantly influence both the spatial and temporal characteristics of Rayleigh instabilities; this is attributed at least in part to impurity effects on the surface energy anisotropy. Related model experiments indicate that the onset of SALK may also contribute significantly to apparent variations in surface diffusion coefficients.

  7. On biomolecules and semiconductors: Analytical studies of interface dynamics

    NASA Astrophysics Data System (ADS)

    Slavin, John William Joseph

    The studies discussed here were undertaken to examine the use of III-V semiconducting materials as templates for biomolecules, to be applied in such technologies as Field-Effect Transistor (FET) and Light-emitting Diode (LED) biosensors. Materials application requires an informed analysis of interactions between chemical environments. Specific to surfaces, this means investigating the molecular interactions between the substrate and the bonding moieties. The analytical tools used to probe these interactions, and the changes that such communication causes on specific substrates are specifically discussed. Surface analysis tools included in this review are Atomic Force Microscopy (AFM), Nanoindentation, X-ray Photoelectron Spectroscopy (XPS), and Raman Microscopy. The interaction of biomolecules - deoxyribonucleic acid (DNA), proteins adhered to nanoparticles, and amino acids - on semiconductor surfaces is also examined. Proper investigation follows, as well, the methods of applying these biomolecular structures to the specified surfaces, through procedures such as solution phase transfer, as well as Dip-pen Nanolithography (DPN). The stretching and enzymatic cleavage of DNA, on silicon oxide surfaces, was studied to determine the recognition properties of dual-enzymatic systems on surfaces. Fundamental questions such as the interaction of functional groups with InAs(100) surfaces, the mechanical properties of protein modified systems, and the DPN application of biologically relevant linker molecules to InAs(100) surfaces were explored. These studies provide information applicable to the development of novel sensing platforms in the future.

  8. Adhesion study of thermoplastic polyimides with Ti-6Al-4V alloy and PEEK-graphite composites

    SciTech Connect

    Yoon Taeho.

    1991-01-01

    High glass transition (e.g. 360C) melt processable thermoplastic polyimide homopolymers and poly(imide-siloxane) segmented copolymers were prepared from a number of diamines and dianhydrides via solution imidization, polydimethylsilxane segment incorporation and molecular weight control with non-reactive phthalimide end-groups. The adhesive bond performance of these polyimides was investigated as a function of molecular weight, siloxane incorporation, residual solvent, test temperature, and polyimide structure via single-lap shear samples prepared from treated Ti-6Al-4V alloy adherends and compression-molded film adhesives of scrim-cloth adhesives. The adhesive bond strengths increased greatly with siloxane-segment incorporation at 10, 20 and 30 wt% and decreased slightly with total polymer molecular weight. As the test temperature was increased, adhesive bond strength increased, decreased or showed a maximum at some temperatures depending on the polyimide structure and siloxane content. The poly(imide-30% siloxane) segmented copolymer and a miscible poly(ether-imide) also demonstrated excellent adhesive bond strength with poly(arylene ether ketone) PEEK{reg sign}-graphite composites.

  9. First-principles study of interface doping in ferroelectric junctions.

    PubMed

    Wang, Pin-Zhi; Cai, Tian-Yi; Ju, Sheng; Wu, Yin-Zhong

    2016-04-11

    Effect of atomic monolayer insertion on the performance of ferroelectric tunneling junction is investigated in SrRuO3/BaTiO3/SrRuO3 heterostrucutures. Based on first-principles calculations, the atomic displacement, orbital occupancy, and ferroelectric polarization are studied. It is found that the ferroelectricity is enhanced when a (AlO2)(-) monolayer is inserted between the electrode SRO and the barrier BTO, where the relatively high mobility of doped holes effectively screen ferroelectric polarization. On the other hand, for the case of (LaO)(+) inserted layer, the doped electrons resides at the both sides of middle ferroelectric barrier, making the ferroelectricity unfavorable. Our findings provide an alternative avenue to improve the performance of ferroelectric tunneling junctions.

  10. First-principles study of interface doping in ferroelectric junctions

    PubMed Central

    Wang, Pin-Zhi; Cai, Tian-Yi; Ju, Sheng; Wu, Yin-Zhong

    2016-01-01

    Effect of atomic monolayer insertion on the performance of ferroelectric tunneling junction is investigated in SrRuO3/BaTiO3/SrRuO3 heterostrucutures. Based on first-principles calculations, the atomic displacement, orbital occupancy, and ferroelectric polarization are studied. It is found that the ferroelectricity is enhanced when a (AlO2)− monolayer is inserted between the electrode SRO and the barrier BTO, where the relatively high mobility of doped holes effectively screen ferroelectric polarization. On the other hand, for the case of (LaO)+ inserted layer, the doped electrons resides at the both sides of middle ferroelectric barrier, making the ferroelectricity unfavorable. Our findings provide an alternative avenue to improve the performance of ferroelectric tunneling junctions. PMID:27063704

  11. Space shuttle/payload interface analysis (study 2.4). Volume 1: Executive summary

    NASA Technical Reports Server (NTRS)

    Pritchard, E. I.

    1973-01-01

    The space shuttle/payload interface analysis is presented. The analysis consists of the following sections: (1) payload capture and cost analysis, (2) business risk and value of operations in space analysis, and (3) payload community analysis. The primary objective of the study was to furnish a method for tracing capture/cost analyses conducted by other study groups.

  12. Development of a submersible shadowgraph for the study of interfaces in salt-gradient solar ponds

    SciTech Connect

    Huacuz, J.M.; Sierra, F.; Venegas, C.; Ramos, C. )

    1989-01-01

    In this paper the processes of development and testing of a submersible shadowgraph are described. This instrument was devised as a tool for the study of interfaces in salt-gradient solar ponds. Tests were carried out in the solar pond of the University of Texas at El Paso. Photographs of interfaces inside the pond were taken for the first time. The submersible shadowgraph can be stationed inside the pond for time dependent studies of a given region, or it can be used to scan the pond depth.

  13. Quantifying microstructural dynamics and electrochemical activity of graphite and silicon-graphite lithium ion battery anodes

    NASA Astrophysics Data System (ADS)

    Pietsch, Patrick; Westhoff, Daniel; Feinauer, Julian; Eller, Jens; Marone, Federica; Stampanoni, Marco; Schmidt, Volker; Wood, Vanessa

    2016-09-01

    Despite numerous studies presenting advances in tomographic imaging and analysis of lithium ion batteries, graphite-based anodes have received little attention. Weak X-ray attenuation of graphite and, as a result, poor contrast between graphite and the other carbon-based components in an electrode pore space renders data analysis challenging. Here we demonstrate operando tomography of weakly attenuating electrodes during electrochemical (de)lithiation. We use propagation-based phase contrast tomography to facilitate the differentiation between weakly attenuating materials and apply digital volume correlation to capture the dynamics of the electrodes during operation. After validating that we can quantify the local electrochemical activity and microstructural changes throughout graphite electrodes, we apply our technique to graphite-silicon composite electrodes. We show that microstructural changes that occur during (de)lithiation of a pure graphite electrode are of the same order of magnitude as spatial inhomogeneities within it, while strain in composite electrodes is locally pronounced and introduces significant microstructural changes.

  14. Quantifying microstructural dynamics and electrochemical activity of graphite and silicon-graphite lithium ion battery anodes

    PubMed Central

    Pietsch, Patrick; Westhoff, Daniel; Feinauer, Julian; Eller, Jens; Marone, Federica; Stampanoni, Marco; Schmidt, Volker; Wood, Vanessa

    2016-01-01

    Despite numerous studies presenting advances in tomographic imaging and analysis of lithium ion batteries, graphite-based anodes have received little attention. Weak X-ray attenuation of graphite and, as a result, poor contrast between graphite and the other carbon-based components in an electrode pore space renders data analysis challenging. Here we demonstrate operando tomography of weakly attenuating electrodes during electrochemical (de)lithiation. We use propagation-based phase contrast tomography to facilitate the differentiation between weakly attenuating materials and apply digital volume correlation to capture the dynamics of the electrodes during operation. After validating that we can quantify the local electrochemical activity and microstructural changes throughout graphite electrodes, we apply our technique to graphite-silicon composite electrodes. We show that microstructural changes that occur during (de)lithiation of a pure graphite electrode are of the same order of magnitude as spatial inhomogeneities within it, while strain in composite electrodes is locally pronounced and introduces significant microstructural changes. PMID:27671269

  15. First principles studies of the stability and Shottky barriers of metal/CdTe(111) interfaces

    NASA Astrophysics Data System (ADS)

    Liu, Zhen; Miao, Masoehng; Kioussis, Nicholas; Aqariden, Fikri; Chang, Y.; Grein, Christoph

    CdZnTe and CdTe based semiconductor X-Ray and Gamma-Ray detectors have been intensively studied recently due to their promising potentials for achieving high-resolution, high signal-to-noise ratios and low leakage current, all are desirable features in applications ranging from medical diagnostics to homeland security. Using density functional calculations, we systematically studied the stability, the atomic and electronic structures of the interfaces between CdTe (111) surfaces (Cd- and Te-terminated) and the selected metals (Cu, Al Ni, Pd and Pt). We also calculated the Schottky barrier height (SBH) by aligning the electrostatic potentials in semiconductor and metal regions. Our calculations revealed significant differences between the Cd- and Te- terminated interfaces. While metals tend to deposit directly on reconstructed Te-terminated surfaces, they form a Te-metal alloy layer at the Cd-Terminated metal/CdTe interface. For both Te- and Cd- terminated interfaces, the Schottky barrier heights do not depend much on the choice of metals despite the large variation of the work functions. On the other hand, the interface structure is found to have large effect on the SBH, which is attributed to the metal induced states in the gap.

  16. Optical Second Harmonic Generation Studies of Electrochemical Interfaces

    NASA Astrophysics Data System (ADS)

    Nagy, Gabor

    Optical second harmonic generation (SHG) is an intrinsically surface sensitive tool that can be used to probe a wide variety of surface processes. In this work, SHG is employed to study the surface behavior of three polycrystalline electrodes, Cu, Ni, and brass, in an electrochemical environment. For the Cu electrode, SHG is used to examine the surface during oxidation and reduction in halide and non -halide electrolytes. The optical data indicate the probable formation of previously undetected small, resonant Cu clusters which are stabilized by Cu-halide crystallites on the electrode surface. The surface charge dependence of SHG is explored at a polycrystalline Ni electrode in the absence of faradaic reactions. The resulting correlation between surface charge and SHG indicates that in an electrochemical environment, the DC field activated contribution to the second order susceptibility plays the dominant role in SHG from Ni. Also with the polycrystalline Ni electrode, the behavior of the SH signal during the electrodeposition of Ag on the Ni surface is examined. The analysis of the optical data in conjunction with a diffusion limited Ag island growth model indicates that the SH signal experiences an electromagnetic enhancement on the Ni surface as a result of the Ag islands. The charge dependence of the SH signal is examined on a polycrystalline alpha-brass electrode in the absence of faradaic reactions, with two incident wavelengths. The experiments show that, as is the case with Cu, SHG from brass may (depending on the incident wavelength) also involve an interband transition and can be affected by a charge dependent Stark shift of the interband transition threshold. The brass electrode is also examined with SHG in a potential region where the selective dissolution of the surface Zn sites is known to occur. By using a layer-by-layer reordering model of the dissolving surface, the electrochemical data is correlated with simultaneously obtained optical SHG data to

  17. First-principles study of Mg(0001)/MgO(1-11) interfaces

    NASA Astrophysics Data System (ADS)

    Song, Hong-Quan; Zhao, Ming; Li, Jian-Guo

    2016-06-01

    By means of first-principles density-functional calculations, we studied the surface energy of a nonstoichiometric MgO(1-11) slab, the interfacial energy and interfacial bonding characteristics of Mg-terminated and O-terminated Mg/MgO(1-11) interfaces with three stacking-site (TOP, HCP and FCC sites) models, and the effect of the thickness of Mg films on the O-terminated MgO(1-11) surface. The results indicate that the surface energies of the nonstoichiometric MgO(1-11) slab and interfacial energies of Mg/Mg(1-11) interface depend on Mg chemical potential. We found that the Mg-terminated MgO(1-11) surface is more stable than the O-terminated MgO(1-11) surface at high Mg chemical potential, and Mg/MgO(1-11) with FCC stacking-site model is the most stable configuration in the Mg/MgO(1-11) interfaces. The results of the electronic structure reveals that the interfacial bonding of Mg-terminated interface with FCC site model mainly consists of metallic bond and of the O-terminated interface with FCC site model is mainly ionic with a small degree of σ-type covalent bond. Although the interfacial energy of Mg-terminated Mg/MgO interface with FCC stacking-site model is slightly higher than that of O-terminated Mg/MgO interface, the molten Mg would epitaxially grow on the FCC sites of the Mg-terminated MgO(1-11) surface because of the high evaporation pressure of Mg at high temperature.

  18. Experimental study on interface region of two-dimensional Si layers by forming gas annealing

    NASA Astrophysics Data System (ADS)

    Mizuno, Tomohisa; Suzuki, Yuhya; Kikuchi, Reika; Suzuki, Ayaka; Inoue, Ryohsuke; Yamanaka, Masahiro; Yokoyama, Miki; Nagamine, Yoshiki; Aoki, Takashi; Maeda, Tatsuro

    2016-04-01

    We experimentally studied the SiO2/Si and Si/buried oxide (BOX) interface regions of a two-dimensional (2D) Si layer, by forming gas annealing (FGA). A photoluminescence (PL) result measured at various lattice temperature, T L, values shows that the PL intensity I PL of the 2D-Si layer rapidly increases and then saturates with increasing FGA temperature, T A, and time, t A. I PL also increases with decreasing T L. A one-dimensional (1D) Schroedinger equation simulator indicates that some of the electrons in the 2D-Si layer generated by a PL excitation laser are quantum-mechanically transmitted into Si interface regions. Actually, we experimentally confirmed that the PL spectra of the 2D-Si layer can be fitted by the PL emission from two regions with different PL peak photon energy values, E PH, which consist of a typical 2D-Si and the interface regions of both the surface SiO2/Si and Si/BOX. Thus, this forming gas dependence is probably attributable to the improved lifetime τ of electrons in the surface interface region, because the Si surface is terminated by H atoms. Moreover, the E PH of the interface region is higher than that of the 2D-Si layer, because of the graded increased bandgap in the interface regions. However, the E PH of 2D-Si is independent of both T A and T L, and this T L independence does not agree with that of a 3D-Si layer. Consequently, we experimentally verified the larger impact of the Si interface on the performance of 2D-Si layer.

  19. Graphite polyhedral crystals.

    PubMed

    Gogotsi, Y; Libera, J A; Kalashnikov, N; Yoshimura, M

    2000-10-13

    Polyhedral nano- and microstructures with shapes of faceted needles, rods, rings, barrels, and double-tipped pyramids, which we call graphite polyhedral crystals (GPCs), have been discovered. They were found in pores of glassy carbon. They have nanotube cores and graphite faces, and they can exhibit unusual sevenfold, ninefold, or more complex axial symmetry. Although some are giant radially extended nanotubes, Raman spectroscopy and transmission electron microscopy suggest GPCs have a degree of perfection higher than in multiwall nanotubes of similar size. The crystals are up to 1 micrometer in cross section and 5 micrometers in length, and they can probably be grown in much larger sizes. Preliminary results suggest a high electrical conductivity, strength, and chemical stability of GPC.

  20. The growth of AA graphite on (111) diamond.

    PubMed

    Lee, Jae-Kap; Lee, Seung-Cheol; Ahn, Jae-Pyoung; Kim, Soo-Chul; Wilson, John I B; John, Phillip

    2008-12-21

    Stacked AA graphite has been synthesized using a high-density dc plasma in hydrogen-methane mixtures. Graphene layers have been grown epitaxially with 2-1 registration between the AA graphitic edges and the (111) surface of diamond. In addition, a new graphite crystal structure containing AA(') graphene layers, where alternate planes are translated by half the hexagon width, is formed by 1-1 registry. The resulting interplanar distances of the AA graphite at the interface range from 2.20 A for the 1-1 registration to 4.40 A for the 2-1 registration and have been measured directly by high-resolution transmission electron microscopy (TEM). The appearance of the characteristic d-spacings, 3.55, 2.15, 1.80, 1.75 (not fully resolved), and 1.25 A in the selective area diffraction patterns from the TEM, are consistent with reflections from the (001), (100), (102), (002), and (110) planes of the AA graphite. Simulation of the diffraction patterns, employing the structural factors of graphene, confirms the existence of AA graphite.

  1. [A feasibility study on use of surface and interface properties for evaluating hemocompatibility of carbonaceous biomaterials].

    PubMed

    Li, Bogang; Kang, Anfu; Yin, Guangfua; Zheng, Changqiong

    2005-06-01

    In order to evaluate diamond like carbon film (DLC), DLC containing Si, graphite, diamond film (DF), low temperature isotropic carbon film (LTIC) and SiC, we investigated the correlations between surface energy parameters and hemocompatibility indices such as kinetic clotting time, hemolysis and platelet consumption. An analysis of T-type correlation degree in the Grey system theory was performed. The results showed: (1) all of correlation degrees between kinetic clotting time and polar surface energy parameters were positive, but for critical surface tension, the correlation degree was negative; among five of surface energy parameters, interface tension had the highest relation degree (0.63) with kinetic clotting time, and critical surface tension (-0.43) took the second place; (2) on the contrary, all of correlation degrees between hemolysis and polar surface energy parameters were negative, but for critical surface tension, the correlation degree was positive; and that which had closer correlations with hemolysis were still interface tension (-0.43) and critical surface tension (0.29); (3) critical surface tension had the highest relation degree (0.68) with platelet consumption, and surface tension (0.32) took the second place; (4) kinetic clotting time possessed higher negative correlation degrees with hemolysis (-0.57) and platelet consumption (-0.36). These data indicate that kinetic clotting time depended on a balance between the polarity of surface and the limited humidifying of water on the surface, and that platelet consumption was based on good humidification and power polarity of surface, while hemolysis was promoted by the aid of chromatic dispersion action stemming from the surface and fully humidifying of water on the surface. There was "seesaw effect" between kinetic clotting time and hemolysis or platelet consumption, hence the hemocompatibility of carbonaceous biomaterials could be equivalently evaluated by using kinetic clotting time as an index

  2. Phonon-interface scattering in multilayer graphene on an amorphous support.

    PubMed

    Sadeghi, Mir Mohammad; Jo, Insun; Shi, Li

    2013-10-01

    The recent studies of thermal transport in suspended, supported, and encased graphene just began to uncover the richness of two-dimensional phonon physics, which is relevant to the performance and reliability of graphene-based functional materials and devices. Among the outstanding questions are the exact causes of the suppressed basal-plane thermal conductivity measured in graphene in contact with an amorphous material, and the layer thickness needed for supported or embedded multilayer graphene (MLG) to recover the high thermal conductivity of graphite. Here we use sensitive in-plane thermal transport measurements of graphene samples on amorphous silicon dioxide to show that full recovery to the thermal conductivity of the natural graphite source has yet to occur even after the MLG thickness is increased to 34 layers, considerably thicker than previously thought. This seemingly surprising finding is explained by long intrinsic scattering mean free paths of phonons in graphite along both basal-plane and cross-plane directions, as well as partially diffuse scattering of MLG phonons by the MLG-amorphous support interface, which is treated by an interface scattering model developed for highly anisotropic materials. Based on the phonon transmission coefficient calculated from reported experimental thermal interface conductance results, phonons emerging from the interface consist of a large component that is scattered across the interface, making rational choice of the support materials a potential approach to increasing the thermal conductivity of supported MLG.

  3. In situ SEM thermal fatigue of Al/graphite metal matrix composites

    NASA Technical Reports Server (NTRS)

    Zong, G. S.; Rabenberg, L.; Marcus, H. L.

    1990-01-01

    Several thermal fatigue-induced failure mechanisms are deduced for unidirectional graphite-reinforced 6061 Al-alloy MMCs subjected to in situ thermal cycling. These thermal cycling conditions are representative of MMC service cycles in aerospace environments, where thermal fatigue is primarily associated with changes in the stress states near the interfaces due to coefficient of thermal expansion mismatch between fiber and matrix. This in situ SEM thermal-cycling study clarified such factors affecting MMCs' thermal fatigue as local fiber content and distribution, void volume, fiber stiffness, thermal excursion magnitude, and number of thermal cycles. MMC microfailure modes in thermal fatigue have been deduced.

  4. Thermal conductivity degradation of graphites irradiated at low temperature

    SciTech Connect

    Snead, L.L.; Burchell, T.D.

    1995-04-01

    The objective of this work is to study the thermal conductivity degradation of new, high thermal conductivity graphites and to compare these results to more standard graphites irradiated at low temperatures. Several graphites and graphite composites (C/C`s) have been irradiated near 150{degree}C and at fluences up to a displacement level of 0.24 dpa. The materials ranged in unirradiated room temperature thermal conductivity of these materials varied from 114 W/m-K for H-451 isotropic graphite, to 670 W/m-K for unidirectional FMI-1D C/C composite. At the irradiation temperature a saturation reduction in thermal conductivity was seen to occur at displacement levels of approximately 0.1 dpa. All materials were seen to degrade to approximately 10 to 14 % of their original thermal conductivity after irradiation. The effect of post irradiation annealing on the thermal conductivity was also studied.

  5. A novel X-ray photoelectron spectroscopy study of the Al/SiO2 interface

    NASA Technical Reports Server (NTRS)

    Hecht, M. H.; Vasquez, R. P.; Grunthaner, F. J.; Zamani, N.; Maserjian, J.

    1985-01-01

    The nondestructive measurement of the chemical and physical characteristics of the interface between bulk SiO2 and thick aluminum films is reported. Both X-ray phototelectron spectroscopy (XPS) and electrical measurements of unannealed, resistively evaporated Al films on thermal SiO2 indicate an atomically abrupt interface. Post metallization annealing at 450 C induces reduction of the SiO2 by the aluminum, at a rate consistent with the bulk reaction rate. The XPS measurement is performed from the SiO2 side after the removal of the Si substrate with XeF2 gas and thinning of the SiO2 layer with HF:ETOH. This represents a powerful new approach to the study of metal-insulator and related interfaces.

  6. Geochemical Insight from Nonlinear Optical Studies of Mineral-Water Interfaces

    NASA Astrophysics Data System (ADS)

    Covert, Paul A.; Hore, Dennis K.

    2016-05-01

    The physics and chemistry of mineral-water interfaces are complex, even in idealized systems. Our need to understand this complexity is driven by both pure and applied sciences, that is, by the need for basic understanding of earth systems and for the knowledge to mitigate our influences upon them. The second-order nonlinear optical techniques of second-harmonic generation and sum-frequency generation spectroscopy have proven adept at probing these types of interfaces. This review focuses on the contributions to geochemistry made by nonlinear optical methods. The types of questions probed have included a basic description of the structure adopted by water molecules at the mineral interface, how flow and porosity affect this structure, adsorption of trace metal and organic species, and dissolution mechanisms. We also discuss directions and challenges that lie ahead and the outlook for the continued use of nonlinear optical methods for studies of mineral-water boundaries.

  7. Theoretical study of vibrational energy transfer of free OH groups at the water-air interface.

    PubMed

    Zheng, Renhui; Wei, Wenmei; Sun, Yuanyuan; Song, Kai; Shi, Qiang

    2016-04-14

    Recent experimental studies have shown that the vibrational dynamics of free OH groups at the water-air interface is significantly different from that in bulk water. In this work, by performing molecular dynamics simulations and mixed quantum/classical calculations, we investigate different vibrational energy transfer pathways of free OH groups at the water-air interface. The calculated intramolecular vibrational energy transfer rate constant and the free OH bond reorientation time scale agree well with the experiment. It is also found that, due to the small intermolecular vibrational couplings, the intermolecular vibrational energy transfer pathway that is very important in bulk water plays a much less significant role in the vibrational energy relaxation of the free OH groups at the water-air interface.

  8. METHOD OF FABRICATING A GRAPHITE MODERATED REACTOR

    DOEpatents

    Kratz, H.R.

    1963-05-01

    S>A nuclear reactor formed of spaced bodies of uranium and graphite blocks is improved by diffusing helium through the graphite blocks in order to replace the air in the pores of the graphite with helium. The helium-impregnated graphite conducts heat better, and absorbs neutrons less, than the original air- impregnated graphite. (AEC)

  9. CMB-13 research on carbon and graphite

    NASA Technical Reports Server (NTRS)

    Smith, M. C.

    1972-01-01

    Preliminary results of the research on carbon and graphite accomplished during this report period are presented. Included are: particle characteristics of Santa Maria fillers, compositions and density data for hot-molded Santa Maria graphites, properties of hot-molded Santa Maria graphites, and properties of hot-molded anisotropic graphites. Ablation-resistant graphites are also discussed.

  10. Graphite fiber reinforced thermoplastic resins

    NASA Technical Reports Server (NTRS)

    Navak, R. C.

    1977-01-01

    The results of a program designed to optimize the fabrication procedures for graphite thermoplastic composites are described. The properties of the composites as a function of temperature were measured and graphite thermoplastic fan exit guide vanes were fabricated and tested. Three thermoplastics were included in the investigation: polysulfone, polyethersulfone, and polyarylsulfone. Type HMS graphite was used as the reinforcement. Bending fatigue tests of HMS graphite/polyethersulfone demonstrated a gradual shear failure mode which resulted in a loss of stiffness in the specimens. Preliminary curves were generated to show the loss in stiffness as a function of stress and number of cycles. Fan exit guide vanes of HMS graphite polyethersulfone were satisfactorily fabricated in the final phase of the program. These were found to have stiffness and better fatigue behavior than graphite epoxy vanes which were formerly bill of material.

  11. Developing a User-process Model for Designing Menu-based Interfaces: An Exploratory Study.

    ERIC Educational Resources Information Center

    Ju, Boryung; Gluck, Myke

    2003-01-01

    The purpose of this study was to organize menu items based on a user-process model and implement a new version of current software for enhancing usability of interfaces. A user-process model was developed, drawn from actual users' understanding of their goals and strategies to solve their information needs by using Dervin's Sense-Making Theory…

  12. Novel applications of optical techniques to the study of buried semiconductor interfaces

    NASA Technical Reports Server (NTRS)

    Wilson, Barbara A.

    1989-01-01

    Detailed electronic and structural information about buried semiconductor interfaces obtained through application of optical techniques is discussed. The measurements described include the determination of band discontinuities, strain, and disorder associated with semiconductor heterointerfaces. The contactless and nondestructive nature of these optical techniques is particularly important for the study of heterointerfaces which are inherently inaccessible to direct electrical or physical contact.

  13. Uranium(IV) Interaction with Aqueous/Solid Interfaces Studied by Nonlinear Optics

    SciTech Connect

    Geiger, Franz

    2015-03-27

    This is the Final Technical Report for "Uranium(IV) Interaction with Aqueous/Solid Interfaces Studied by Nonlinear Optics", by Franz M. Geiger, PI, from Northwestern University, IL, USA, Grant Number SC0004101 and/or DE-PS02-ER09-07.

  14. An experimental study of liquid drop - interface coalescence in the presence of surfactants

    NASA Astrophysics Data System (ADS)

    Angeli, Panagiota; Chinaud, Maxime; Li, Kai; Wang, Wei; University College London Team; Beijing Key Laboratory of Urban Oil; Gas Distribution Technology Team

    2014-11-01

    Drop-interface coalescence has been the subject of many studies both theoretical and experimental. It is of particular interest for the oil industries particularly during the transportation of multiphase mixtures where coalescence rates can affect the stability and separation of dispersions. It is well-known that the presence of surfactants can significantly affect the coalescence rates. In this work a silicon oil -water system has been studied in a rectangular coalescence cell. Both rising oil drops and falling water drops coalescing with the water-oil interface have been investigated. A water soluble surfactant, SPAN 80, was used. High speed imaging has been performed to study the coalescence phenomenon and obtain the coalescence time of the drops with the interface with and without the presence of the surfactant. The velocity fields in the bulk fluid and in the liquid film forming between the drop and the interface were studied with shadowgraphy (bright field Particle Image Velocimetry). To increase the spatial resolution particularly in the liquid film microscope lenses were implemented. Results have been compared against existing literature.

  15. Effects of prestresses on mechanical properties of isotropic graphite materials

    NASA Astrophysics Data System (ADS)

    Oku, T.; Kurumada, A.; Imamura, Y.; Kawamata, K.; Shiraishi, M.

    1998-10-01

    Graphite materials which are used for plasma facing components and other components are subjected to stresses due to the high heat flux from the fusion plasma. Some mechanical properties of graphite materials can change due to the prestresses. The property changes should be considered for the design of the plasma facing components. The purpose of this study is to examine the effects of prestresses on the mechanical properties of isotropic graphite materials. Compressive prestresses were applied to two kinds of isotropic fine-grained graphites (IG-430 and IG-11) at 298 K (both), 1873 K (IG-11), 2273 K (IG-11) and 2283 K (IG-430). As a result, the decrease in Young's modulus for IG-430 due to high-temperature prestressing was 56% which was much larger than the 6.4% that was due to prestressing at 298 K. The results for IG-11 were the same as those for IG-430 graphite. This finding was considered to be due primarily to a difference in degree of the preferred orientation of crystallites in the graphite on the basis of the Bacon anisotropy factor (BAF) obtained from X-ray diffraction measurement of the prestressed specimens. Furthermore, high-temperature compressive prestressing produced an increase in the strength of the isotropic graphite, although room temperature prestressing produced no such effect. The results obtained here suggest that the isotropic graphite which is subjected to high-temperature compressive stresses can become anisotropic in service.

  16. Development of polyphenylquinoxaline graphite composites

    NASA Technical Reports Server (NTRS)

    Hoggatt, J. T.; Hill, S. G.; Shdo, J. G.

    1974-01-01

    This exploratory program was divided into four basic tasks. The initial phase was devoted toward investigating processing variables associated with previously developed PPO resins. These polymers were derived from p-bis(phenyl glyoxalyl)benzene reacted with 3,3'-diamino benzidine and/or 3,3',4,4'-tetramino benzophenone. Four new phenyl quinoxaline polymers were synthesized and characterized in Tasks 2 and 3. These consisted of a hydroxyl group containing PPQ synthesized from 3,3'-diamino benzidine (DAB), m-bis(phenyl glyoxal)benzene and m-bis(p'-hydroxy phenyl glyoxalyl) benzene; a cyano group containing PPQ from the reaction of DAB and p-bis(p'-cyano phenoxy phenyl glyoxalyl)benzene; an end-capped block copolymer; and a polymer from the reaction of 3,3',4,4'-tetraamino benzo phenone and m-bis(phenyl glyoxalyl)benzene. The latter two polymers were chosen for composite studies in the latter two tasks of the program. Mechanical properties of the graphite reinforced PPQ composites were determined over the temperature range of +21 C to 316 C. Flexural strengths of the HMS graphite fiber composites were in excess of 8.97 X 10 to the 8th power N/sq m (130,000 psi) at +21 C (70 F) with over 50% strength retention at +316 C.

  17. X-ray photoelectron spectroscopic and morphologic studies of Ru nanoparticles deposited onto highly oriented pyrolytic graphite

    NASA Astrophysics Data System (ADS)

    Bavand, R.; Yelon, A.; Sacher, E.

    2015-11-01

    Ruthenium nanoparticles (Ru NPs) function as effective catalysts in specific reactions, such as methanation and Fischer-Tropsch syntheses. It is our purpose to physicochemically characterize their surfaces, at which catalysis occurs, by surface-sensitive X-ray photoelectron spectroscopy (XPS), using the symmetric peak component anaylsis technique developed in our laboratory to reveal previously hidden components. Ru NPs were deposited by evaporation (0.25-1.5 nm nominal deposition range) onto highly oriented pyrolytic graphite (HOPG). In addition to their surfaces being characterized by XPS, an indication of morphology was obtained from transmission electron microscopy (TEM). Our use of symmetric peak component XPS analysis has revealed detailed information on a previously unidentified surface oxide initially formed, as well as on the valence electronic structure and its variation with NP size, information that is of potential importance in the use of these NPs in catalysis. Each of the several Ru core XPS spectra characterized (3d, 3p and 3s) was found to be composed of three symmetric components. Together with two metal oxide O1s components, these give evidence of a rather complex, previously unidentified oxide that is initially formed. The Ru valence band (4d and 5s) spectra clearly demonstrate a loss of metallicity, a simultaneous increase of the Kubo gap, and an abrupt transfer in valence electron density from the 4d to the 5s orbitals (known as electron spill-over), as the NP size decreases below 0.5 nm. TEM photomicrographs, as a function of deposition rate, show that, at a rate that gives insufficient time for the NP condensation energy to dissipate, the initially well-separated NPs are capable of diffusing laterally and aggregating. This indicates weak NP bonding to the HOPG substrate. Carbide is formed, at both high and low deposition rates, at Ru deposition thicknesses greater than 0.25 nm, its formation explained by Ru NPs reacting with residual

  18. Aqueous interfaces with hydrophobic room-temperature ionic liquids: a molecular dynamics study.

    PubMed

    Chaumont, A; Schurhammer, R; Wipff, G

    2005-10-13

    We report a molecular dynamics study of the interface between water and (macroscopically) water-immiscible room-temperature ionic liquids "ILs", composed of PF6(-) anions and butyl- versus octyl-substituted methylimidazolium+ cations (noted BMI+ and OMI+). Because the parameters used to simulate the pure ILs were found to exaggerate the water/IL mixing, they have been modified by scaling down the atomic charges, leading to better agreement with the experiment. The comparison of [OMI][PF6] versus [BMI][PF6] ILs demonstrates the importance of the N-alkyl substituent on the extent of solvent mixing and on the nature of the interface. With the most hydrophobic [OMI][PF6] liquid, the "bulk" IL phase is dryer than with the [BMI][PF6] liquid. At the interface, the OMI+ cations retain direct contacts with the bulk IL, whereas the more hydrophilic PF6(-) anions gradually dilute in the local water micro-environment and are thus isolated from the "bulk" IL. The interfacial OMI+ cations are ordered with their imidazolium moiety pointing toward the aqueous side and their octyl chains toward the IL side of the interface. With the [BMI][PF6] liquid, the system gradually evolves from an IL-rich to a water-rich medium, leading to an ill-defined interfacial domain with high intersolvent mixing. As a result, the BMI+ cations are isotropically oriented "at the interface". Because the imidazolium cations are more hydrophobic than the PF6(-) anions, the charge distribution at the interface is heterogeneous, leading to a positive electrostatic potential at the interface with the two studied ILs. Mixing-demixing simulations on [BMI][PF6]/water mixtures are also reported, comparing Ewald versus reaction field treatments of electrostatics. Phase separation is very slow (at least 30 ns), in marked contrast with mixtures involving classical organic liquids, which separate in less than 0.5 ns at the microscopic level. The results allow us to better understand the specificity of the aqueous

  19. Fundamental measure density functional theory study of hard spheres solid-liquid interface

    NASA Astrophysics Data System (ADS)

    Warshavsky, Vadim

    2005-03-01

    Interfacial free energy is an important characteristic of solid-liquid interface as it is one of the crucial parameters in many formula of interface thermodynamics such the nucleation theory. Previously different aspects of crystal-melt interfaces were intensively studied with simulations [1,2,3], but theoretical studies with Density Functional Theories (DFT) are inconclusive [4,5]. In this report the structure of hard spheres fcc crystal-melt interfaces and the anisotropy of the interfacial free energies are studied using the Rosenfeld's Fundamental Measure DFT as such a functional leads to reliable coexistence results not only for the hard sphere system but also for the Lennard-Jones systems [6]. The parameters of interfacial density profile were calculated by a proper minimization procedure. For the equilibrium density profile the interfacial free energies were compared with simulation results. 1. R.L.Davidchak and B.B.Laird, Phys.Rev.Lett., 85, 4751(2000). 2. J.J. Hoyt, M. Asta and A. Karma, Phys.Rev.Lett., 86, 5530 (2001). 3. J.R.Morris and X.Song, J.Chem.Phys., 119, 3920 (2003). 4. W.A.Curtin, Phys.Rev.B, 39, 6775(1989). 5. R.Ohnesorge, H.Lowen, and H.Wagner, Phys.Rev.E, 50, 4801 (1994). 6. V.Warshavsky and X.Song, Phys.Rev.E, 69, 061113 (2004).

  20. Heat exchanger using graphite foam

    DOEpatents

    Campagna, Michael Joseph; Callas, James John

    2012-09-25

    A heat exchanger is disclosed. The heat exchanger may have an inlet configured to receive a first fluid and an outlet configured to discharge the first fluid. The heat exchanger may further have at least one passageway configured to conduct the first fluid from the inlet to the outlet. The at least one passageway may be composed of a graphite foam and a layer of graphite material on the exterior of the graphite foam. The layer of graphite material may form at least a partial barrier between the first fluid and a second fluid external to the at least one passageway.

  1. Probing dispersion and re-agglomeration phenomena upon melt-mixing of polymer-functionalized graphite nanoplates.

    PubMed

    Santos, R M; Vilaverde, C; Cunha, E; Paiva, M C; Covas, J A

    2016-01-01

    A one-step melt-mixing method is proposed to study dispersion and re-agglomeration phenomena of the as-received and functionalized graphite nanoplates in polypropylene melts. Graphite nanoplates were chemically modified via 1,3-dipolar cycloaddition of an azomethine ylide and then grafted with polypropylene-graft-maleic anhydride. The effect of surface functionalization on the dispersion kinetics, nanoparticle re-agglomeration and interface bonding with the polymer is investigated. Nanocomposites with 2 or 10 wt% of as-received and functionalized graphite nanoplates were prepared in a small-scale prototype mixer coupled to a capillary rheometer. Samples were collected along the flow axis and characterized by optical microscopy, scanning electron microscopy and electrical conductivity measurements. The as-received graphite nanoplates tend to re-agglomerate upon stress relaxation of the polymer melt. The covalent attachment of a polymer to the nanoparticle surface enhances the stability of dispersion, delaying the re-agglomeration. Surface modification also improves interfacial interactions and the resulting composites presented improved electrical conductivity. PMID:26439171

  2. Polymeric Additives For Graphite/Epoxy Composites

    NASA Technical Reports Server (NTRS)

    Kourtides, D. A.; Nir, Z.

    1990-01-01

    Report describes experimental studies of properties of several graphite/epoxy composites containing polymeric additives as flexibilizing or toughening agents. Emphasizes effects of brominated polymeric additives (BPA's) with or without carboxy-terminated butadiene acrylonitrile rubber. Reviews effects of individual and combined additives on fracture toughnesses, environmental stabilities, hot/wet strengths, thermomechanical behaviors, and other mechanical properties of composites.

  3. US graphite reactor D&D experience

    SciTech Connect

    Garrett, S.M.K.; Williams, N.C.

    1997-02-01

    This report describes the results of the U.S. Graphite Reactor Experience Task for the Decommissioning Strategy Plan for the Leningrad Nuclear Power Plant (NPP) Unit 1 Study. The work described in this report was performed by the Pacific Northwest National Laboratory (PNNL) for the Department of Energy (DOE).

  4. Study of Dose Perturbation at Bone-Tissue Interfaces in Megavoltage Photon Beam Therapy.

    NASA Astrophysics Data System (ADS)

    Das, Indra Jeet

    Dose perturbations during photon beam irradiation occur at interfaces between two dissimilar media due to the loss of electronic equilibrium. The human body contains many different types of interfaces between soft tissue and other media such as, air cavities, lungs, bones, and high atomic number (Z) materials. The dose to critical organs in the vicinity of high Z interfaces, is what leads to this project. This work describes the dose perturbation at high Z (from bone to lead) interfaces with soft tissue for clinically used megavoltage photon beams in the range of CO-60 gamma rays to 24 MV X-rays. It is divided into three main sections: (1) the dose outside the inhomogeneity in the direction of backscatter, (2) the dose inside the inhomogeneity, and (3) the dose on the photon transmission side of the inhomogeneity. Using different types of parallel plate ion chambers, TLD (powder and chip), and film as dosimeters, the dose perturbation is studied as a function of photon energy, thickness, width, and depth of inhomogeneity, distance from the interface and radiation field size. The concept of Bragg-Gray cavity theory is applied and verified for dose determination inside the inhomogeneity. A significant dose enhancement has been observed on the backscatter side for all photon energies. It is strongly dependent on the atomic number of the inhomogeneity and less dependent on the photon energy, thickness, depth, width, and field size. In the forward direction, a dose reduction occurs at the interface at beam energies lower than 10 MV, whereas a dose enhancement occurs for higher photon energies. The interface effect persists up to a few millimeters on the backscatter side but a distance equivalent to the secondary electron range for the particular photon beams in the forward direction. The dose perturbation is explained on the basis of production and transport of secondary electrons. Empirical functions are derived from the experimental data to predict the dose

  5. Reactive ZnO/Ti/ZnO interfaces studied by hard x-ray photoelectron spectroscopy

    SciTech Connect

    Knut, Ronny Lindblad, Rebecka; Rensmo, Håkan; Karis, Olof; Grachev, Sergey; Faou, Jean-Yvon; Søndergård, Elin

    2014-01-28

    The chemistry and intermixing at buried interfaces in sputter deposited ZnO/Ti/ZnO thin layers were studied by hard x-ray photoelectron spectroscopy. The long mean free path of the photoelectrons allowed for detailed studies of the oxidation state, band bending effects, and intrinsic doping of the buried interfaces. Oxidation of the Ti layer was observed when ZnO was deposited on top. When Ti is deposited onto ZnO, Zn Auger peaks acquire a metallic character indicating a strong reduction of ZnO at the interface. Annealing of the stack at 200 °C results in further reduction of ZnO and oxidation of Ti. Above 300 °C, oxygen transport from the bulk of the ZnO layer takes place, leading to re-oxidation of ZnO at the interface and further oxidation of Ti layer. Heating above 500 °C leads to an intermixing of the layers and the formation of a Zn{sub x}TiO{sub y} compound.

  6. First principles studies of the stability and Shottky barriers of metal/CdTe(111) interfaces

    NASA Astrophysics Data System (ADS)

    Dorj, Odkhuu; Miao, M. S.; Kioussis, N.; Tari, S.; Aqariden, F.; Chang, Y.; Grein, C.

    2015-03-01

    CdZnTe and CdTe based semiconductor X-Ray and Gamma-Ray detectors have been intensively studied recently due to their promising potentials for achieving high-resolution, high signal-to-noise ratios and low leakage current, all are desirable features in applications ranging from medical diagnostics to homeland security. Understanding the atomic and electronic structures of the metal/semiconductor interfaces is essential for the further improvements of performance. Using density functional calculations, we systematically studied the stability, the atomic and electronic structures of the interfaces between Cd-terminated CdTe (111) surface and the selected metals. We also calculated the Schottky barrier height (SBH) by aligning the electrostatic potentials in semiconductor and metal regions. Our calculations revealed the importance of intermixing between semiconductor and metal layers and the formation of Te-metal alloys at the interface. The obtained SBH does not depend much on the choice of metals despite the large variation of the work functions. On the other hand, the interface structure is found to have large effect to the SBH, which is attributed to the metal induced states in the gap. The position of such states is insensitive to the metal work functions, as revealed by the analysis of the electronic structures.

  7. Density functional theory based study of chlorine doped WS2-metal interface

    NASA Astrophysics Data System (ADS)

    Chanana, Anuja; Mahapatra, Santanu

    2016-03-01

    Investigation of a transition metal dichalcogenide (TMD)-metal interface is essential for the effective functioning of monolayer TMD based field effect transistors. In this work, we employ the Density Functional Theory calculations to analyze the modulation of the electronic structure of monolayer WS2 with chlorine doping and the relative changes in the contact properties when interfaced with gold and palladium. We initially examine the atomic and electronic structures of pure and doped monolayer WS2 supercell and explore the formation of midgap states with band splitting near the conduction band edge. Further, we analyze the contact nature of the pure supercell with Au and Pd. We find that while Au is physiosorbed and forms n-type contact, Pd is chemisorped and forms p-type contact with a higher valence electron density. Next, we study the interface formed between the Cl-doped supercell and metals and observe a reduction in the Schottky barrier height (SBH) in comparison to the pure supercell. This reduction found is higher for Pd in comparison to Au, which is further validated by examining the charge transfer occurring at the interface. Our study confirms that Cl doping is an efficient mechanism to reduce the n-SBH for both Au and Pd, which form different types of contact with WS2.

  8. Graphite Composite Panel Polishing Fixture

    NASA Technical Reports Server (NTRS)

    Hagopian, John; Strojny, Carl; Budinoff, Jason

    2011-01-01

    The use of high-strength, lightweight composites for the fixture is the novel feature of this innovation. The main advantage is the light weight and high stiffness-to-mass ratio relative to aluminum. Meter-class optics require support during the grinding/polishing process with large tools. The use of aluminum as a polishing fixture is standard, with pitch providing a compliant layer to allow support without deformation. Unfortunately, with meter-scale optics, a meter-scale fixture weighs over 120 lb (.55 kg) and may distort the optics being fabricated by loading the mirror and/or tool used in fabrication. The use of composite structures that are lightweight yet stiff allows standard techniques to be used while providing for a decrease in fixture weight by almost 70 percent. Mounts classically used to support large mirrors during fabrication are especially heavy and difficult to handle. The mount must be especially stiff to avoid deformation during the optical fabrication process, where a very large and heavy lap often can distort the mount and optic being fabricated. If the optic is placed on top of the lapping tool, the weight of the optic and the fixture can distort the lap. Fixtures to support the mirror during fabrication are often very large plates of aluminum, often 2 in. (.5 cm) or more in thickness and weight upwards of 150 lb (68 kg). With the addition of a backing material such as pitch and the mirror itself, the assembly can often weigh over 250 lb (.113 kg) for a meter-class optic. This innovation is the use of a lightweight graphite panel with an aluminum honeycomb core for use as the polishing fixture. These materials have been used in the aerospace industry as structural members due to their light weight and high stiffness. The grinding polishing fixture consists of the graphite composite panel, fittings, and fixtures to allow interface to the polishing machine, and introduction of pitch buttons to support the optic under fabrication. In its

  9. Graphitic packing removal tool

    SciTech Connect

    Meyers, K.E.; Kolsun, G.J.

    1996-12-31

    Graphitic packing removal tools are described for removal of the seal rings in one piece from valves and pumps. The packing removal tool has a cylindrical base ring the same size as the packing ring with a surface finish, perforations, knurling or threads for adhesion to the seal ring. Elongated leg shanks are mounted axially along the circumferential center. A slit or slits permit insertion around shafts. A removal tool follower stabilizes the upper portion of the legs to allow a spanner wrench to be used for insertion and removal.

  10. Graphitic packing removal tool

    DOEpatents

    Meyers, K.E.; Kolsun, G.J.

    1997-11-11

    Graphitic packing removal tools for removal of the seal rings in one piece are disclosed. The packing removal tool has a cylindrical base ring the same size as the packing ring with a surface finish, perforations, knurling or threads for adhesion to the seal ring. Elongated leg shanks are mounted axially along the circumferential center. A slit or slits permit insertion around shafts. A removal tool follower stabilizes the upper portion of the legs to allow a spanner wrench to be used for insertion and removal. 5 figs.

  11. Graphitic packing removal tool

    DOEpatents

    Meyers, Kurt Edward; Kolsun, George J.

    1997-01-01

    Graphitic packing removal tools for removal of the seal rings in one piece. he packing removal tool has a cylindrical base ring the same size as the packing ring with a surface finish, perforations, knurling or threads for adhesion to the seal ring. Elongated leg shanks are mounted axially along the circumferential center. A slit or slits permit insertion around shafts. A removal tool follower stabilizes the upper portion of the legs to allow a spanner wrench to be used for insertion and removal.

  12. A Study of Fluid Interface Configurations in Exploration Vehicle Propellant Tanks

    NASA Technical Reports Server (NTRS)

    Zimmerli, Gregory A.; Asipauskas, Marius; Chen, Yongkang; Weislogel, Mark M.

    2010-01-01

    The equilibrium shape and location of fluid interfaces in spacecraft propellant tanks while in low-gravity is of interest to system designers, but can be challenging to predict. The propellant position can affect many aspects of the spacecraft such as the spacecraft center of mass, response to thruster firing due to sloshing, liquid acquisition, propellant mass gauging, and thermal control systems. We use Surface Evolver, a fluid interface energy minimizing algorithm, to investigate theoretical equilibrium liquid-vapor interfaces for spacecraft propellant tanks similar to those that have been considered for NASA's new class of Exploration vehicles. The choice of tank design parameters we consider are derived from the NASA Exploration Systems Architecture Study report. The local acceleration vector employed in the computations is determined by estimating low-Earth orbit (LEO) atmospheric drag effects and centrifugal forces due to a fixed spacecraft orientation with respect to the Earth or Moon, and rotisserie-type spacecraft rotation. Propellant/vapor interface positions are computed for the Earth Departure Stage and Altair lunar lander descent and ascent stage tanks for propellant loads applicable to LEO and low-lunar orbit. In some of the cases investigated the vapor ullage bubble is located at the drain end of the tank, where propellant management device hardware is often located.

  13. Study on User Interface of Pathology Picture Archiving and Communication System

    PubMed Central

    Kim, Dasueran; Kang, Peter; Yun, Jungmin; Park, Sung-Hye; Seo, Jeong-Wook

    2014-01-01

    Objectives It is necessary to improve the pathology workflow. A workflow task analysis was performed using a pathology picture archiving and communication system (pathology PACS) in order to propose a user interface for the Pathology PACS considering user experience. Methods An interface analysis of the Pathology PACS in Seoul National University Hospital and a task analysis of the pathology workflow were performed by observing recorded video. Based on obtained results, a user interface for the Pathology PACS was proposed. Results Hierarchical task analysis of Pathology PACS was classified into 17 tasks including 1) pre-operation, 2) text, 3) images, 4) medical record viewer, 5) screen transition, 6) pathology identification number input, 7) admission date input, 8) diagnosis doctor, 9) diagnosis code, 10) diagnosis, 11) pathology identification number check box, 12) presence or absence of images, 13) search, 14) clear, 15) Excel save, 16) search results, and 17) re-search. And frequently used menu items were identified and schematized. Conclusions A user interface for the Pathology PACS considering user experience could be proposed as a preliminary step, and this study may contribute to the development of medical information systems based on user experience and usability. PMID:24627818

  14. A theoretical study of wave dispersion and thermal conduction for HMX/additive interfaces

    NASA Astrophysics Data System (ADS)

    Long, Yao; Chen, Jun

    2014-04-01

    The wave dispersion rule for non-uniform material is useful for ultrasonic inspection and engine life prediction, and also is key in achieving an understanding of the energy dissipation and thermal conduction properties of solid material. On the basis of linear response theory and molecular dynamics, we derive a set of formulas for calculating the wave dispersion rate of interface systems, and study four kinds of interfaces inside plastic bonded explosives: HMX/{HMX, TATB, F2312, F2313}. (HMX: octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine; TATB: 1,3,5-triamino-2,4,6-trinitrobenzene; F2312, F2313: fluoropolymers). The wave dispersion rate is obtained over a wide frequency range from kHz to PHz. We find that at low frequency, the rate is proportional to the square of the frequency, and at high frequency, the rate couples with the molecular vibration modes at the interface. By using the results, the thermal conductivities of HMX/additive interfaces are derived, and a physical model is built for describing the total thermal conductivity of mixture explosives, including HMX multi-particle systems and {TATB, F2312, F2313}-coated HMX.

  15. Graphite formation in the Hiroshima fire storm

    SciTech Connect

    Fields, D.E.; Crenshaw, M.; Yalcintas, M.G.; Strehlow, R.A. ); Cole, L.L. )

    1991-01-01

    In order to investigate what might be the composition and optical properties of particles that could lead to a nuclear winter, a search has been made for particles that had been generated in urban fire storms. Deposits containing small amounts of graphite have been found on an artifact from the Hiroshima fire storm. The fire storm was initiated on August 6, 1945, by the atomic bomb detonation. The particles were rained out of the atmosphere in the black rain that commenced following the urban fire storm. Initial studies using electron microscopy have revealed that the particles consist of a mixture of clay and amorphous sooty carbon. Scanning electron photomicrographs have suggested the presence of graphite. Its presence has been confirmed using laser Raman spectroscopy (LRS), surface ionization mass spectroscopy (SIMS), and electron scattering for chemical analysis (ESCA). Significant amounts of the sooty material consist of clay, and the graphite is probably present as short-range ordered structure in sooty microspheres. The results of this study are presented with a discussion of conditions that may lead to graphite formation.

  16. Molecular dynamics study on condensation/evaporation coefficients of chain molecules at liquid–vapor interface

    SciTech Connect

    Nagayama, Gyoko Takematsu, Masaki; Mizuguchi, Hirotaka; Tsuruta, Takaharu

    2015-07-07

    The structure and thermodynamic properties of the liquid–vapor interface are of fundamental interest for numerous technological implications. For simple molecules, e.g., argon and water, the molecular condensation/evaporation behavior depends strongly on their translational motion and the system temperature. Existing molecular dynamics (MD) results are consistent with the theoretical predictions based on the assumption that the liquid and vapor states in the vicinity of the liquid–vapor interface are isotropic. Additionally, similar molecular condensation/evaporation characteristics have been found for long-chain molecules, e.g., dodecane. It is unclear, however, whether the isotropic assumption is valid and whether the molecular orientation or the chain length of the molecules affects the condensation/evaporation behavior at the liquid–vapor interface. In this study, MD simulations were performed to study the molecular condensation/evaporation behavior of the straight-chain alkanes, i.e., butane, octane, and dodecane, at the liquid–vapor interface, and the effects of the molecular orientation and chain length were investigated in equilibrium systems. The results showed that the condensation/evaporation behavior of chain molecules primarily depends on the molecular translational energy and the surface temperature and is independent of the molecular chain length. Furthermore, the orientation at the liquid–vapor interface was disordered when the surface temperature was sufficiently higher than the triple point and had no significant effect on the molecular condensation/evaporation behavior. The validity of the isotropic assumption was confirmed, and we conclude that the condensation/evaporation coefficients can be predicted by the liquid-to-vapor translational length ratio, even for chain molecules.

  17. Molecular dynamics study on condensation/evaporation coefficients of chain molecules at liquid-vapor interface

    NASA Astrophysics Data System (ADS)

    Nagayama, Gyoko; Takematsu, Masaki; Mizuguchi, Hirotaka; Tsuruta, Takaharu

    2015-07-01

    The structure and thermodynamic properties of the liquid-vapor interface are of fundamental interest for numerous technological implications. For simple molecules, e.g., argon and water, the molecular condensation/evaporation behavior depends strongly on their translational motion and the system temperature. Existing molecular dynamics (MD) results are consistent with the theoretical predictions based on the assumption that the liquid and vapor states in the vicinity of the liquid-vapor interface are isotropic. Additionally, similar molecular condensation/evaporation characteristics have been found for long-chain molecules, e.g., dodecane. It is unclear, however, whether the isotropic assumption is valid and whether the molecular orientation or the chain length of the molecules affects the condensation/evaporation behavior at the liquid-vapor interface. In this study, MD simulations were performed to study the molecular condensation/evaporation behavior of the straight-chain alkanes, i.e., butane, octane, and dodecane, at the liquid-vapor interface, and the effects of the molecular orientation and chain length were investigated in equilibrium systems. The results showed that the condensation/evaporation behavior of chain molecules primarily depends on the molecular translational energy and the surface temperature and is independent of the molecular chain length. Furthermore, the orientation at the liquid-vapor interface was disordered when the surface temperature was sufficiently higher than the triple point and had no significant effect on the molecular condensation/evaporation behavior. The validity of the isotropic assumption was confirmed, and we conclude that the condensation/evaporation coefficients can be predicted by the liquid-to-vapor translational length ratio, even for chain molecules.

  18. Molecular dynamics study on condensation/evaporation coefficients of chain molecules at liquid-vapor interface.

    PubMed

    Nagayama, Gyoko; Takematsu, Masaki; Mizuguchi, Hirotaka; Tsuruta, Takaharu

    2015-07-01

    The structure and thermodynamic properties of the liquid-vapor interface are of fundamental interest for numerous technological implications. For simple molecules, e.g., argon and water, the molecular condensation/evaporation behavior depends strongly on their translational motion and the system temperature. Existing molecular dynamics (MD) results are consistent with the theoretical predictions based on the assumption that the liquid and vapor states in the vicinity of the liquid-vapor interface are isotropic. Additionally, similar molecular condensation/evaporation characteristics have been found for long-chain molecules, e.g., dodecane. It is unclear, however, whether the isotropic assumption is valid and whether the molecular orientation or the chain length of the molecules affects the condensation/evaporation behavior at the liquid-vapor interface. In this study, MD simulations were performed to study the molecular condensation/evaporation behavior of the straight-chain alkanes, i.e., butane, octane, and dodecane, at the liquid-vapor interface, and the effects of the molecular orientation and chain length were investigated in equilibrium systems. The results showed that the condensation/evaporation behavior of chain molecules primarily depends on the molecular translational energy and the surface temperature and is independent of the molecular chain length. Furthermore, the orientation at the liquid-vapor interface was disordered when the surface temperature was sufficiently higher than the triple point and had no significant effect on the molecular condensation/evaporation behavior. The validity of the isotropic assumption was confirmed, and we conclude that the condensation/evaporation coefficients can be predicted by the liquid-to-vapor translational length ratio, even for chain molecules.

  19. NMR Studies of Polymer-Nanoparticle Interfaces in Biological and Synthetic Nanocomposites

    NASA Astrophysics Data System (ADS)

    Schmidt-Rohr, Klaus

    2010-03-01

    Nuclear magnetic resonance (NMR) provides unique capabilities for studying buried interfaces in organic-inorganic (specifically phosphate-based) nanocomposites, in terms of local composition as well as distances between, and mobility of, structural units near the interface. The organic-inorganic interface is crucial for the mechanical coupling between the polymer and the inorganic nanoparticles. We have studied the organic-inorganic nanocomposite in bone and characterized the interface between the organic matrix (the triple-helical fibrous polypeptide collagen) and the inorganic, reinforcing bioapatite (a calcium phosphate) that accounts for 45 vol% of the material and is present as ˜3-nm thick nanocrystals. By solid-state ^13C^31P NMR, we can obtain selective spectra of the collagen residues at the interface; ionic and hydroxyproline C-OH groups of significant mobility are dominant. ^1H-^31P and ^1H-^13C NMR prove that water with isotropic mobility, which accounts for about 7% of the total volume, forms a monomolecular interfacial layer between apatite and collagen. Its rotational correlation time is about five orders of magnitude longer than that of liquid water. We propose that this water layer can be considered as ``viscous glue'' that holds the components of the nanocomposite together. It would avoid stress concentration and, by virtue of its flexible H-bonding, reduce the requirement of matched lock-and-key binding sites for collagen sidegroups on the apatite surface. In nanocomposites of phosphate glass with polyamides, ^1H-^13C NMR reveals a reduced crystallinity of the polyamide near the inorganic particles.[4pt] Coauthors: Yan-Yan Hu, Aditya Rawal (Ames Laboratory), Joshua Otaigbe (University of Southern Mississippi)

  20. Electronic and geometric properties of Au nanoparticles on Highly Ordered Pyrolytic Graphite (HOPG) studied using X-ray Photoelectron Spectroscopy (XPS) and Scanning Tunneling Microscopy (STM).

    PubMed

    Lopez-Salido, Ignacio; Lim, Dong Chan; Dietsche, Rainer; Bertram, Nils; Kim, Young Dok

    2006-01-26

    Au nanoparticles grown on mildly sputtered Highly Ordered Pyrolytic Graphite (HOPG) surfaces were studied using Scanning Tunneling Microscopy (STM) and X-ray Photoelectron Spectroscopy (XPS). The results were compared with those of Ag nanoparticles on the same substrate. By varying the defect densities of HOPG and the Au coverages, one can create Au nanoparticles in various sizes. At high Au coverages, the structures of the Au films significantly deviate from the ideal truncated octahedral form: the existence of many steps between different Au atomic layers can be observed, most likely due to a high activation barrier of the diffusion of Au atoms across the step edges. This implies that the particle growth at room temperature is strongly limited by kinetic factors. Hexagonal shapes of Au structures could be identified, indicating preferential growth of Au nanostructures along the (111) direction normal to the surface. In the case of Au, XPS studies reveal a weaker core level shift with decreasing particle size compared to the 3d level in similarly sized Ag particles. Also taking into account the Auger analysis of the Ag particles, the core level shifts of the metal nanoparticles on HOPG can be understood in terms of the metal/substrate charge transfer. Ag is (partially) positively charged, whereas Au negatively charged on HOPG. It is demonstrated that XPS can be a useful tool to study metal-support interactions, which plays an important role for heterogeneous catalysis, for example.

  1. Superconductivity in graphite intercalation compounds

    DOE PAGES

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P. M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-02-26

    This study examines the field of superconductivity in the class of materials known as graphite intercalation compounds which has a history dating back to the 1960s. This paper recontextualizes the field in light of the discovery of superconductivity in CaC₆ and YbC₆ in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how this relates to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic statesmore » and phonon modes are most important for superconductivity and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.« less

  2. Superconductivity in graphite intercalation compounds

    SciTech Connect

    Smith, Robert P.; Weller, Thomas E.; Howard, Christopher A.; Dean, Mark P. M.; Rahnejat, Kaveh C.; Saxena, Siddharth S.; Ellerby, Mark

    2015-02-26

    This study examines the field of superconductivity in the class of materials known as graphite intercalation compounds which has a history dating back to the 1960s. This paper recontextualizes the field in light of the discovery of superconductivity in CaC₆ and YbC₆ in 2005. In what follows, we outline the crystal structure and electronic structure of these and related compounds. We go on to experiments addressing the superconducting energy gap, lattice dynamics, pressure dependence, and how this relates to theoretical studies. The bulk of the evidence strongly supports a BCS superconducting state. However, important questions remain regarding which electronic states and phonon modes are most important for superconductivity and whether current theoretical techniques can fully describe the dependence of the superconducting transition temperature on pressure and chemical composition.

  3. REFRACTORY COATING FOR GRAPHITE MOLDS

    DOEpatents

    Stoddard, S.D.

    1958-06-24

    Refractory coating for graphite molds used in the casting of uranium is described. The coating is an alumino-silicate refractory composition which may be used as a mold surface in solid form or as a coating applied to the graphite mold. The composition consists of a mixture of ball clay, kaolin, alumina cement, alumina, water, sodium silicate, and sodium carbonate.

  4. Examining graphite reinforcement in composites

    NASA Technical Reports Server (NTRS)

    Sanders, R. E.; Yates, C. I.

    1980-01-01

    Structure of graphite layers in composite parts can be checked by pyrolizing epoxy portion of composite samples. After 2-3 hours in nitrogen atmosphere at 540 C, only graphite fibers remain. These can be separated and checked for proper number, thickness, and orientation.

  5. Co-Evolution of User and Organizational Interfaces: A Longitudinal Case Study of WWW Dissemination of National Statistics.

    ERIC Educational Resources Information Center

    Marchionini, Gary

    2002-01-01

    Describes how user interfaces for the Bureau of Labor Statistics (BLS) web site evolved over a 5-year period along with the larger organizational interface and how this co-evolution has influenced the institution. Interviews with BLS staff and transaction log analysis are the foci of this study, as well as user information-seeking studies and user…

  6. Baseline Graphite Characterization: First Billet

    SciTech Connect

    Mark C. Carroll; Joe Lords; David Rohrbaugh

    2010-09-01

    The Next Generation Nuclear Plant Project Graphite Research and Development program is currently establishing the safe operating envelope of graphite core components for a very high temperature reactor design. To meet this goal, the program is generating the extensive amount of quantitative data necessary for predicting the behavior and operating performance of the available nuclear graphite grades. In order determine the in-service behavior of the graphite for the latest proposed designs, two main programs are underway. The first, the Advanced Graphite Creep (AGC) program, is a set of experiments that are designed to evaluate the irradiated properties and behavior of nuclear grade graphite over a large spectrum of temperatures, neutron fluences, and compressive loads. Despite the aggressive experimental matrix that comprises the set of AGC test runs, a limited amount of data can be generated based upon the availability of space within the Advanced Test Reactor and the geometric constraints placed on the AGC specimens that will be inserted. In order to supplement the AGC data set, the Baseline Graphite Characterization program will endeavor to provide supplemental data that will characterize the inherent property variability in nuclear-grade graphite without the testing constraints of the AGC program. This variability in properties is a natural artifact of graphite due to the geologic raw materials that are utilized in its production. This variability will be quantified not only within a single billet of as-produced graphite, but also from billets within a single lot, billets from different lots of the same grade, and across different billets of the numerous grades of nuclear graphite that are presently available. The thorough understanding of this variability will provide added detail to the irradiated property data, and provide a more thorough understanding of the behavior of graphite that will be used in reactor design and licensing. This report covers the

  7. Graphene-nickel interfaces: a review

    NASA Astrophysics Data System (ADS)

    Dahal, Arjun; Batzill, Matthias

    2014-02-01

    Graphene on nickel is a prototypical example of an interface between graphene and a strongly interacting metal, as well as a special case of a lattice matched system. The chemical interaction between graphene and nickel is due to hybridization of the metal d-electrons with the π-orbitals of graphene. This interaction causes a smaller separation between the nickel surface and graphene (0.21 nm) than the typical van der Waals gap-distance between graphitic layers (0.33 nm). Furthermore, the physical properties of graphene are significantly altered. Main differences are the opening of a band gap in the electronic structure and a shifting of the π-band by ~2 eV below the Fermi-level. Experimental evidence suggests that the ferromagnetic nickel induces a magnetic moment in the carbon. Substrate induced geometric and electronic changes alter the phonon dispersion. As a consequence, monolayer graphene on nickel does not exhibit a Raman spectrum. In addition to reviewing these fundamental physical properties of graphene on Ni(111), we also discuss the formation and thermal stability of graphene and a surface-confined nickel-carbide. The fundamental growth mechanisms of graphene by chemical vapor deposition are also described. Different growth modes depending on the sample temperature have been identified in ultra high vacuum surface science studies. Finally, we give a brief summary for the synthesis of more complex graphene and graphitic structures using nickel as catalyst and point out some potential applications for graphene-nickel interfaces.

  8. Adsorption of naphthalene and ozone on atmospheric air/ice interfaces coated with surfactants: a molecular simulation study.

    PubMed

    Liyana-Arachchi, Thilanga P; Valsaraj, Kalliat T; Hung, Francisco R

    2012-03-15

    The adsorption of gas-phase naphthalene and ozone molecules onto air/ice interfaces coated with different surfactant species (1-octanol, 1-hexadecanol, or 1-octanal) was investigated using classical molecular dynamics (MD) simulations. Naphthalene and ozone exhibit a strong preference to be adsorbed at the surfactant-coated air/ice interfaces, as opposed to either being dissolved into the bulk of the quasi-liquid layer (QLL) or being incorporated into the ice crystals. The QLL becomes thinner when the air/ice interface is coated with surfactant molecules. The adsorption of both naphthalene and ozone onto surfactant-coated air/ice interfaces is enhanced when compared to bare air/ice interface. Both naphthalene and ozone tend to stay dissolved in the surfactant layer and close to the QLL, rather than adsorbing on top of the surfactant molecules and close to the air region of our systems. Surfactants prefer to orient at a tilted angle with respect to the air/ice interface; the angular distribution and the most preferred angle vary depending on the hydrophilic end group, the length of the hydrophobic tail, and the surfactant concentration at the air/ice interface. Naphthalene prefers to have a flat orientation on the surfactant coated air/ice interface, except at high concentrations of 1-hexadecanol at the air/ice interface; the angular distribution of naphthalene depends on the specific surfactant and its concentration at the air/ice interface. The dynamics of naphthalene molecules at the surfactant-coated air/ice interface slow down as compared to those observed at bare air/ice interfaces. The presence of surfactants does not seem to affect the self-association of naphthalene molecules at the air/ice interface, at least for the specific surfactants and the range of concentrations considered in this study.

  9. Integrity of the interface between denture base and soft liner: a scanning electron microscopic study.

    PubMed

    Muralidhar, G; Satish Babu, C L; Shetty, Shilpa

    2012-06-01

    Aims and objectives of the study was to study the integrity of the interface between the denture base and the soft liner when the thickness of the soft liner was 0.5, 1.0 and 2.0 mm, and to study the integrity of the soft liner and denture base interface as influenced by aging process. 80 rectangular based specimens were fabricated using heat cured acrylic resin. The heat cured component of the specimen was fabricated from stainless steel template form by compression molding technique. Different thickness of silicone soft layer component was added to heat cured acrylic resin component of the specimen following the manufacturer's instructions to fabricate the group A, group B, group C and group D specimens. All the specimens were subjected to the same finishing and polishing procedures. The group A specimens was immediately scanned in scanning electron microscope after processing. A thermo statically controlled artificial saliva bath designed to maintain the temperature between 38 ± 4°C was used to simulate the oral condition and to age the group B, group C and group D specimens for 3 months after which they were subjected to scanning under a scanning electron microscope. All the aged specimens demonstrated two types of failures namely adhesive which occurred along the bond interface between the soft liner and the acrylic resin and adhesive and cohesive type of failure which occurred not only at the interface but also within the soft liner material itself. When the data was subjected to ANOVA, the group A specimens showed statistical significance with group B (P = 0.006), group C (P = 0.007) and group D specimens (P = 0.004), the level of significance being (P < 0.05). However, there was no statistical significance between group B and C (P = 0.98), group C and D specimens (P = 0.52), group B and D specimens (P = 0.70), the level of significance being (P < 0.05). Based on the results, statistical analysis of the results and within the

  10. Integrity of the interface between denture base and soft liner: a scanning electron microscopic study.

    PubMed

    Muralidhar, G; Satish Babu, C L; Shetty, Shilpa

    2012-06-01

    Aims and objectives of the study was to study the integrity of the interface between the denture base and the soft liner when the thickness of the soft liner was 0.5, 1.0 and 2.0 mm, and to study the integrity of the soft liner and denture base interface as influenced by aging process. 80 rectangular based specimens were fabricated using heat cured acrylic resin. The heat cured component of the specimen was fabricated from stainless steel template form by compression molding technique. Different thickness of silicone soft layer component was added to heat cured acrylic resin component of the specimen following the manufacturer's instructions to fabricate the group A, group B, group C and group D specimens. All the specimens were subjected to the same finishing and polishing procedures. The group A specimens was immediately scanned in scanning electron microscope after processing. A thermo statically controlled artificial saliva bath designed to maintain the temperature between 38 ± 4°C was used to simulate the oral condition and to age the group B, group C and group D specimens for 3 months after which they were subjected to scanning under a scanning electron microscope. All the aged specimens demonstrated two types of failures namely adhesive which occurred along the bond interface between the soft liner and the acrylic resin and adhesive and cohesive type of failure which occurred not only at the interface but also within the soft liner material itself. When the data was subjected to ANOVA, the group A specimens showed statistical significance with group B (P = 0.006), group C (P = 0.007) and group D specimens (P = 0.004), the level of significance being (P < 0.05). However, there was no statistical significance between group B and C (P = 0.98), group C and D specimens (P = 0.52), group B and D specimens (P = 0.70), the level of significance being (P < 0.05). Based on the results, statistical analysis of the results and within the

  11. Hydration and dewetting near graphite-CH(3) and graphite-COOH plates.

    PubMed

    Li, Jingyuan; Liu, Ting; Li, Xin; Ye, Lei; Chen, Huajun; Fang, Haiping; Wu, Zhaohui; Zhou, Ruhong

    2005-07-21

    The dynamics of water near the nanoscale hydrophobic (graphite-CH(3)) and hydrophilic (graphite-COOH) plates has been studied in detail with molecular dynamics simulations in this paper. It is shown that these designed surfaces (by growing a layer of methyl or carboxyl groups on top of graphite) can have a significant impact on the neighboring water dynamics, with the hydrophilic carboxyl surface having even more profound effects. The water hydrogen bond lifetime is much longer near both types of surfaces than that in the bulk, while on the other hand the water diffusion constant is much smaller than that in the bulk. The difference in the diffusion constant can be as large as a factor of 8 and the difference in the hydrogen bond lifetime can be as large as a factor of 2, depending on the distance from the surface. Furthermore, the water molecules in the first solvation shell of surface atoms show a strong bias in hydroxyl group orientation near the surface, confirming some of the previous findings. Finally, the possible water dewetting transition between two graphite-CH(3) plates and the effect of the strength of the solute-solvent attractions on the water drying transition are investigated. The relationship among the dewetting transition critical distance, van der Waals potential well depth, and water contact angle on the graphite-CH(3) surface is also analyzed on the basis of a simple macroscopic theory, which can be used to predict the dewetting transition critical distance.

  12. Hyperthermal oxidation of graphite and diamond.

    PubMed

    Paci, Jeffrey T; Minton, Timothy K; Schatz, George C

    2012-11-20

    Carbon materials have mechanical, electrical, optical, and tribological properties that make them attractive for use in a wide range of applications. Two properties that make them attractive, their hardness and inertness in many chemical environments, also make them difficult to process into useful forms. The use of atomic oxygen and other forms of oxidation has become a popular option for processing of these materials (etching, erosion, chemical functionalization, etc.). This Account provides an overview of the use of theory to describe the mechanisms of oxidation of diamond and graphite using hyperthermal (few electronvolts) oxygen atoms. The theoretical studies involve the use of Born-Oppenheimer molecular dynamics calculations in which on-the-fly electronic structure calculations have been performed using either density functional theory or density-functional-tight-binding semiempirical methods to simulate collisions of atomic oxygen with diamond or graphite. Comparisons with molecular-beam scattering on surfaces provide indirect verification of the results. Graphite surfaces become oxidized when exposed to hyperthermal atomic oxygen, and the calculations have revealed the mechanisms for formation of both CO and CO(2). These species arise when epoxide groups form and diffuse to holes on the surface where carbonyls are already present. CO and CO(2) form when these carbonyl groups dissociate from the surface, resulting in larger holes. We also discuss mechanisms for forming holes in graphite surfaces that were previously hole-free. For diamond, the (111) and (100) surfaces are oxidized by the oxygen atoms, forming mostly oxy radicals and ketones on the respective surfaces. The oxy-covered (111) surface can then react with hyperthermal oxygen to give gaseous CO(2), or it can become graphitized leading to carbon removal as with graphite. The (100) surface is largely unreactive to hyperthermal atomic oxygen, undergoing large amounts of inelastic scattering and

  13. Effects of fiber/matrix interactions on the properties of graphite/epoxy composites

    NASA Technical Reports Server (NTRS)

    Mcmahon, P. E.; Ying, L.

    1982-01-01

    A state-of-the-art literature review of the interactions between fibers and resin within graphite epoxy composite materials was performed. Emphasis centered on: adhesion theory; wetting characteristics of carbon fiber; load transfer mechanisms; methods to evaluate and measure interfacial bond strengths; environmental influence at the interface; and the effect of the interface/interphase on composite performance, with particular attention to impact toughness. In conjunction with the literature review, efforts were made to design experiments to study the wetting behavior of carbon fibers with various finish variants and their effect on adhesion joint strength. The properties of composites with various fiber finishes were measured and compared to the base-line properties of a control. It was shown that by tailoring the interphase properties, a 30% increase in impact toughness was achieved without loss of mechanical properties at both room and elevated temperatures.

  14. Evaluation of a Novel Conjunctive Exploratory Navigation Interface for Consumer Health Information: A Crowdsourced Comparative Study

    PubMed Central

    Cui, Licong; Carter, Rebecca

    2014-01-01

    Background Numerous consumer health information websites have been developed to provide consumers access to health information. However, lookup search is insufficient for consumers to take full advantage of these rich public information resources. Exploratory search is considered a promising complementary mechanism, but its efficacy has never before been rigorously evaluated for consumer health information retrieval interfaces. Objective This study aims to (1) introduce a novel Conjunctive Exploratory Navigation Interface (CENI) for supporting effective consumer health information retrieval and navigation, and (2) evaluate the effectiveness of CENI through a search-interface comparative evaluation using crowdsourcing with Amazon Mechanical Turk (AMT). Methods We collected over 60,000 consumer health questions from NetWellness, one of the first consumer health websites to provide high-quality health information. We designed and developed a novel conjunctive exploratory navigation interface to explore NetWellness health questions with health topics as dynamic and searchable menus. To investigate the effectiveness of CENI, we developed a second interface with keyword-based search only. A crowdsourcing comparative study was carefully designed to compare three search modes of interest: (A) the topic-navigation-based CENI, (B) the keyword-based lookup interface, and (C) either the most commonly available lookup search interface with Google, or the resident advanced search offered by NetWellness. To compare the effectiveness of the three search modes, 9 search tasks were designed with relevant health questions from NetWellness. Each task included a rating of difficulty level and questions for validating the quality of answers. Ninety anonymous and unique AMT workers were recruited as participants. Results Repeated-measures ANOVA analysis of the data showed the search modes A, B, and C had statistically significant differences among their levels of difficulty (P<.001

  15. Graphite Oxidation Thermodynamics/Reactions

    SciTech Connect

    Propp, W.A.

    1998-09-01

    The vulnerability of graphite-matrix spent nuclear fuel to oxidation by the ambient atmosphere if the fuel canister is breached was evaluated. Thermochemical and kinetic data over the anticipated range of storage temperatures (200 to 400 C) were used to calculate the times required for a total carbon mass loss of 1 mgcm-2 from a fuel specimen. At 200 C, the time required to produce even this small loss is large, 900,000 yr. However, at 400 C the time required is only 1.9 yr. The rate of oxidation at 200 C is negligible, and the rate even at 400 C is so small as to be of no practical consequence. Therefore, oxidation of the spent nuclear fuel upon a loss of canister integrity is not anticipated to be a concern based upon the results of this study.

  16. Studies of the analyte-carrier interface in flow injection analysis

    SciTech Connect

    Brown, S.D.

    1992-01-01

    Chemical analysis in flowing solution is popular for automation of classical methods. However, most of the classical methods are not specific enough for direct multicomponent analysis of simple mixtures. This research project has the goals of study of rapid multicomponent analysis of transient species in flowing media, and investigations of chemical reactions at interfaces and of effects of competition on distribution of products from interfacial reaction. This report summarizes work done over the past 4.5 years; support has been terminated.

  17. Molecular Dynamics Study of Ion Transfer and Distribution at the Interface of Water and 1,2-Dichloroethane (Letter)

    SciTech Connect

    Wick, Collin D.; Dang, Liem X.

    2008-01-24

    Molecular dynamics simulations were carried out to study Cl-’s propensity for and its transfer across the H2O-1,2-dichloroethane (DCE) interface, comparing it with the H2O-CCl4 and H2O-vapor interfaces. It was found that, primarily because the DCE molecules had a preferred orientation at the H2O-DCE interface that resulted in unfavorable interactions with Cl-, Cl- was repelled from the H2O-DCE interface. For CCl4, which has a larger Cl- free energy of transfer from H2O than DCE, Cl- had a propensity for the interface, as well as for the H2O-vapor interface. Calculated thermodynamic properties for pure DCE, the H2O-DCE surface tension, and the free energy of Cl- transfer across the H2O-DCE interface agreed very well with experiment. This study shows that a coexisting solvent’s preferred orientation at the interface can be used to control the propensity of a solute for the aqueous interface. This work was supported by the Office of Basic Energy Sciences of the U.S. Department of Energy. Pacific Northwest National Laboratory is operated by Battelle for the U.S. Department of Energy.

  18. Studies on the enhancement of solid electrolyte interphase formation on graphitized anodes in LiX-carbonate based electrolytes using Lewis acid additives for lithium-ion batteries

    NASA Astrophysics Data System (ADS)

    Li, L. F.; Xie, B.; Lee, H. S.; Li, H.; Yang, X. Q.; McBreen, J.; Huang, X. J.

    The new electrolyte systems utilizing one type of Lewis acids, the boron based anion receptors (BBARs) with LiF, Li 2O, or Li 2O 2 in carbonate solutions have been developed and reported by us. These systems open up a new approach in developing non-aqueous electrolytes with higher operating voltage and less moisture sensitivity for lithium-ion batteries. However, the formation of a stable solid electrolyte interphase (SEI) layer on the graphitized anodes is a serious problem needs to be solved for these new electrolyte systems, especially when propylene carbonate (PC) is used as a co-solvent. Using lithium bis(oxalato)borate (LiBOB) as an additives, the SEI layer formation on mesophase carbon microbeads (MCMB) anode is significantly enhanced in these new electrolytes containing boron-based anion receptors, such as tris(pentafluorophenyl) borane, and lithium salt such as LiF, or lithium oxides such as Li 2O or Li 2O 2 in PC and dimethyl carbonate (DMC) solvents. The cells using these electrolytes and MCMB anodes cycled very well and the PC co-intercalation was suppressed. Fourier transform infrared spectroscopy (FTIR) studies show that one of the electrochemical decomposition products of LiBOB, lithium carbonate (Li 2CO 3), plays a quite important role in the stablizing SEI layer formation.

  19. A high precision study of the electrolyte additives vinylene carbonate, vinyl ethylene carbonate and lithium bis(oxalate)borate in LiCoO2/graphite pouch cells

    NASA Astrophysics Data System (ADS)

    Wang, David Yaohui; Sinha, N. N.; Burns, J. C.; Petibon, R.; Dahn, J. R.

    2014-12-01

    The effects of three well-known electrolyte additives, used singly or in combination, on LiCoO2/graphite pouch cells has been investigated using the ultra high precision charger (UHPC) at Dalhousie University, electrochemical impedance spectroscopy (EIS) and long term cycling Vinylene carbonate (VC), vinyl ethylene carbonate (VEC), and lithium bis(oxalato) borate (LiBOB) were chosen for study. The results show that combinations of electrolyte additives that act synergistically can be more effective than a single electrolyte additive. However, simply using 2% VC yielded cells very competitive in coulombic efficiency (CE), charge endpoint capacity slippage and charge transfer resistance (Rct). For cells with 1% LiBOB and VC (1, 2, 4 or 6%), adding VC above 2% does not increase the CE, but increases the electrode charge transfer impedances. Rct for cells containing 1% LiBOB and VEC (0.5, 1 or 4%) decreased after long term cycling (1800 h), compared to that tested after the UHPC cycling (500 h) indicating that VEC might be useful for the design of power cells. However, the opposite behaviour (increasing Rct with cycle number) was observed for the control cells or cells containing LiBOB and/or VC.

  20. Study of the versatility of a graphite furnace atomic absorption spectrometric method for the determination of cadmium in the environmental field.

    PubMed

    Rucandio, M Isabel; Petit-Domínguez, M Dolores

    2002-01-01

    Cadmium is a representative example of trace elements that are insidious and widespread health hazards. In contemporary environmental analysis, there is a clear trend toward its determination over a wide range of concentrations in complex matrixes. This paper describes a versatile method for the determination of Cd at various levels (0.1-500 microg/g) in several sample types, such as soils, sediments, coals, ashes, sewage sludges, animal tissues, and plants, by graphite furnace atomic absorption spectrometry with Zeeman background correction. The effect of the individual presence of about 50 elements, with an interference/analyte concentration ratio of up to 10(5), was tested; recoveries of Cd ranged from 93 to 106%. The influence of different media, such as HNO3, HCI, HF, H2SO4, HClO4, acetic acid, hydroxylammonium chloride, and ammonium acetate, in several concentrations, was also tested. From these studies it can be concluded that the analytical procedure is scarcely matrix dependent, and the results obtained for a wide diversity of reference materials are in good agreement with the certified values.

  1. The Origin of High Thermal Conductivity and Ultralow Thermal Expansion in Copper-Graphite Composites.

    PubMed

    Firkowska, Izabela; Boden, André; Boerner, Benji; Reich, Stephanie

    2015-07-01

    We developed a nanocomposite with highly aligned graphite platelets in a copper matrix. Spark plasma sintering ensured an excellent copper-graphite interface for transmitting heat and stress. The resulting composite has superior thermal conductivity (500 W m(-1) K(-1), 140% of copper), which is in excellent agreement with modeling based on the effective medium approximation. The thermal expansion perpendicular to the graphite platelets drops dramatically from ∼20 ppm K(-1) for graphite and copper separately to 2 ppm K(-1) for the combined structure. We show that this originates from the layered, highly anisotropic structure of graphite combined with residual stress under ambient conditions, that is, strain-engineering of the thermal expansion. Combining excellent thermal conductivity with ultralow thermal expansion results in ideal materials for heat sinks and other devices for thermal management.

  2. The Origin of High Thermal Conductivity and Ultralow Thermal Expansion in Copper-Graphite Composites.

    PubMed

    Firkowska, Izabela; Boden, André; Boerner, Benji; Reich, Stephanie

    2015-07-01

    We developed a nanocomposite with highly aligned graphite platelets in a copper matrix. Spark plasma sintering ensured an excellent copper-graphite interface for transmitting heat and stress. The resulting composite has superior thermal conductivity (500 W m(-1) K(-1), 140% of copper), which is in excellent agreement with modeling based on the effective medium approximation. The thermal expansion perpendicular to the graphite platelets drops dramatically from ∼20 ppm K(-1) for graphite and copper separately to 2 ppm K(-1) for the combined structure. We show that this originates from the layered, highly anisotropic structure of graphite combined with residual stress under ambient conditions, that is, strain-engineering of the thermal expansion. Combining excellent thermal conductivity with ultralow thermal expansion results in ideal materials for heat sinks and other devices for thermal management. PMID:26083322

  3. Storable droplet interface lipid bilayers for cell-free ion channel studies.

    PubMed

    Jung, Sung-Ho; Choi, Sangbaek; Kim, Young-Rok; Jeon, Tae-Joon

    2012-01-01

    An artificially created lipid bilayer is an important platform in studying ion channels and engineered biosensor applications. However, a lipid bilayer created using conventional techniques is fragile and short-lived, and the measurement of ion channels requires expertise and laborious procedures, precluding practical applications. Here, we demonstrate a storable droplet lipid bilayer precursor frozen with ion channels, resulting in a droplet interface bilayer upon thawing. A small vial with an aqueous droplet in organic solution was flash frozen in -80 °C methanol immediately after an aqueous droplet was introduced into the organic solution and gravity draws the droplet down to the interface upon thawing. A lipid bilayer created along the interface using this method had giga-ohm resistance and typical specific capacitance values. The noise level of this system is favorably comparable to the conventional system. The subsequent incorporation of ion channels, alpha-hemolysin and gramicidin A, showed typical conductance values consistent with those in previous literatures. This novel system to create a lipid bilayer as a whole can be automated from its manufacture to use and indefinitely stored when frozen. As a result, ion channel measurements can be carried out in any place, increasing the accessibility of ion channel studies as well as a number of applications, such as biosensors, ion channel drug screening, and biophysical studies. PMID:21909672

  4. Interaction between dimer interface residues of native and mutated SOD1 protein: a theoretical study.

    PubMed

    Keerthana, S P; Kolandaivel, P

    2015-04-01

    Cu-Zn superoxide dismutase 1 (SOD1) is a highly conserved bimetallic protein enzyme, used for the scavenging the superoxide radicals (O2 (-)) produced due to aerobic metabolism in the mitochondrial respiratory chain. Over 100 mutations have been identified and found to be in the homodimeric structure of SOD1. The enzyme has to be maintained in its dimeric state for the structural stability and enzymatic activity. From our investigation, we found that the mutations apart from the dimer interface residues are found to affect the dimer stability of protein and hence enhancing the aggregation and misfolding tendency of mutated protein. The homodimeric state of SOD1 is found to be held together by the non-covalent interactions. The molecular dynamics simulation has been used to study the hydrogen bond interactions between the dimer interface residues of the monomers in native and mutated forms of SOD1 in apo- and holo-states. The results obtained by this analysis reveal the fact that the loss of hydrogen bond interactions between the monomers of the dimer is responsible for the reduced stability of the apo- and holo-mutant forms of SOD1. The conformers with dimer interface residues in native and mutated protein obtained by the molecular dynamics simulation is subjected to quantum mechanical study using M052X/6-31G(d) level of theory. The charge transfer between N-H···O interactions in the dimer interface residues were studied. The weak interaction between the monomers of the dimer accounts for the reduced dimerization and enhanced deformation energy in the mutated SOD1 protein. PMID:25578810

  5. Effect of processing pressure on the properties of graphite foam

    NASA Astrophysics Data System (ADS)

    Shah, Raviraj; Soni, Neha; Shrivastava, R.

    2013-06-01

    Graphite foam samples were prepared by heating mesophase pitch at different processing pressures followed by carbonization and graphitization under inert atmosphere. These samples were characterized for density, surface morphology and thermal conductivity. Microstructure of the samples indicate that processing pressure controls the evolution of volatiles from mesophase pitch to create a structure having optimum pore size, ligament thickness and junctions, which all are responsible for physical and thermal properties of resultant graphite foam. The study reveals that there is a relationship between processing pressure and the final density & thermal conductivity.

  6. Phosphomolybdic acid immobilized on graphite as an environmental photoelectrocatalyst.

    PubMed

    Aber, Soheil; Yaghoubi, Zeynab; Zarei, Mahmoud

    2016-10-01

    A new phosphomolybdic acid (PMA)/Graphite surface was prepared based on electrostatic interactions between phosphomolybdic acid and graphite surface. The PMA/Graphite was characterized by cyclic voltammetry (CV) analysis and scanning electron microscope (SEM). SEM images showed that the phosphomolybdic acid particles were well stabilized on the graphite surface and they were evidenced the size of particles (approximately 10 nm). The CV results not only showed that the modified surface has good electrochemical activity toward the removal of the dyestuff, but also exhibits long term stability. The PMA/Graphite was used as a photoanode for decolorization of Reactive Yellow 39 by photoelectrocatalytic system under UV irradiation. The effects of parameters such as the amount of phosphomolybdic acid used in preparation of PMA/Graphite surface, applied potential on anode electrode and solution pH were studied by response surface methodology. The optimum conditions were obtained as follows: dye solution pH 3, 1.5 g of immobilized PMA on graphite surface and applied potential on anode electrode 1 V. Under optimum conditions after 90 min of reaction time, the decolorization efficiency was 95%. PMID:27448755

  7. Comparison of Oxidation Behaviors of Different Grades of Nuclear Graphite

    SciTech Connect

    Luo Xiaowei; Robin, Jean-Charles; Yu Suyuan

    2005-09-15

    The oxidation behaviors of different grades of nuclear graphite - PAEB, PCEB, PPEA, and IG-11 - were studied thermogravimetrically at 400, 800, and 1200 deg. C as a part of work to select one grade of nuclear graphite for use in a gas turbine-modular helium reactor (GT-MHR). The results showed that all grades of nuclear graphite resist oxidation at 400 deg. C. The difference in oxidation between different grades of nuclear graphite was greater at 800 deg. C than at 400 deg. C and 1200 deg. C. At 800 deg. C, for the same grade of nuclear graphite, when the centerline of the specimen is parallel to the axis of extrusion (with grain), the oxidation rate is greater than that of the graphite specimen with the centerline perpendicular to the axis of extrusion (against grain). The experimental results revealed that PPEA had the best oxidation resistance, and IG-11 had the worst due to high impurities. Moreover, the oxidation experiment exhibited that there were some oxidizable materials in unclear nuclear graphite.

  8. Characterization of nuclear graphite elastic properties using laser ultrasonic methods

    SciTech Connect

    Zeng, Fan W; Han, Karen; Olasov, Lauren R; Gallego, Nidia C; Contescu, Cristian I; Spicer, James B

    2015-01-01

    Laser ultrasonic methods have been used to characterize the elastic behaviors of commercially-available and legacy nuclear graphites. Since ultrasonic techniques are sensitive to various aspects of graphite microstructure including preferred grain orientation, microcrack orientation and porosity, laser ultrasonics is a candidate technique for monitoring graphite degradation and structural integrity in environments expected in high-temperature, gas-cooled nuclear reactors. Aspects of materials texture can be assessed by studying ultrasonic wavespeeds as a function of propagation direction and polarization. Shear wave birefringence measurements, in particular, can be used to evaluate elastic anisotropy. In this work, laser ultrasonic measurements of graphite moduli have been made to provide insight into the relationship between the microstructures and the macroscopic stiffnesses of these materials. In particular, laser ultrasonic measurements have been made using laser line sources to produce shear waves with specific polarizations. By varying the line orientation relative to the sample, shear wave birefringence measurements have been recorded. Results from shear wave birefringence measurements show that an isostatically molded graphite, such as PCIB, behaves isotropically, while an extruded graphite, such as H-451, displays significant ultrasonic texture. Graphites have complicated microstructures that depend on the manufacturing processes used, and ultrasonic texture in these materials could originate from grain orientation and preferred microcrack alignment. Effects on material isotropy due to service related microstructural changes are possible and the ultimate aim of this work is to determine the degree to which these changes can be assessed nondestructively using laser ultrasonics measurements

  9. First-principles study of the Fe | MgO(0 0 1) interface: magnetic anisotropy.

    PubMed

    Bose, Thomas; Cuadrado, Ramon; Evans, Richard F L; Chepulskii, Roman V; Apalkov, Dmytro; Chantrell, Roy W

    2016-04-20

    We present a systematic first-principles study of Fe | MgO bilayer systems emphasizing the influence of the iron layer thickness on the geometry, the electronic structure and the magnetic properties. Our calculations ensure the unconstrained structural relaxation at scalar relativistic level for various numbers of iron layers placed on the magnesium oxide substrate. Our results show that due to the formation of the interface the electronic structure of the interface iron atoms is significantly modified involving charge transfer within the iron subsystem. In addition, we find that the magnetic anisotropy energy increases from 1.9 mJ m(-2) for 3 Fe layers up to 3.0 mJ m(-2) for 11 Fe layers. PMID:26987845

  10. Application of Neutron Reflectivity for Studies of Biomolecular Structures and Functions at Interfaces

    SciTech Connect

    Johs, Alexander; Liang, Liyuan; Gu, Baohua; Ankner, John Francis; Wang, Wei

    2009-01-01

    Structures and functions of cell membranes are of central importance in understanding processes such as cell signaling, chemotaxis, redox transformation, biofilm formation, and mineralization occurring at interfaces. This chapter provides an overview of the application of neutron reflectivity (NR) as a unique tool for probing biomolecular structures and mechanisms as a first step toward understanding protein protein, protein lipid, and protein mineral interactions at the membrane substrate interfaces. Emphasis is given to the review of existing literature on the assembly of biomimetic membrane systems, such as supported membranes for NR studies, and demonstration of model calculations showing the potential of NR to elucidate molecular fundamentals of microbial cell mineral interactions and structure functional relationships of electron transport pathways. The increased neutron flux afforded by current and upcoming neutron sources holds promise for elucidating detailed processes such as phase separation, formation of microdomains, and membrane interactions with proteins and peptides in biological systems.

  11. The Pt(111)/electrolyte interface under oxygen reduction reaction conditions: an electrochemical impedance spectroscopy study.

    PubMed

    Bondarenko, Alexander S; Stephens, Ifan E L; Hansen, Heine A; Pérez-Alonso, Francisco J; Tripkovic, Vladimir; Johansson, Tobias P; Rossmeisl, Jan; Nørskov, Jens K; Chorkendorff, Ib

    2011-03-01

    The Pt(111)/electrolyte interface has been characterized during the oxygen reduction reaction (ORR) in 0.1 M HClO(4) using electrochemical impedance spectroscopy. The surface was studied within the potential region where adsorption of OH* and O* species occur without significant place exchange between the adsorbate and Pt surface atoms (0.45-1.15 V vs RHE). An equivalent electric circuit is proposed to model the Pt(111)/electrolyte interface under ORR conditions within the selected potential window. This equivalent circuit reflects three processes with different time constants, which occur simultaneously during the ORR at Pt(111). Density functional theory (DFT) calculations were used to correlate and interpret the results of the measurements. The calculations indicate that the coadsorption of ClO(4)* and Cl* with OH* is unlikely. Our analysis suggests that the two-dimensional (2D) structures formed in O(2)-free solution are also formed under ORR conditions. PMID:21244087

  12. X-ray absorption studies of Ti/polymer and Cr/polymer interfaces

    SciTech Connect

    Opila, R.L.; Konstadinidis, K.; Ibidunni, A.O; Davenport, A.J.; Isaacs, H.S.

    1993-11-01

    The interface formed between metals, Ti and Cr, and polymers, epoxy, and triazine, have been studied, non-destructively, using x-ray absorption spectroscopy. The metals were sputtered onto the polymer surfaces. Titanium reacts extensively, up to Ti thickness of 100 {Angstrom} while Cr remains primarily metallic. In situ heating at 200{degree}C increases the extent of reaction for both metals. Heating has a greater effect on metal/epoxy interfaces than metal/triazine. Titanium and Cr were ion implanted into the polymer in order to determine the interactions of isolated metal atoms with the polymer. Titanium and Cr appear to form oxides as the final reaction product, and the Ti is tetrahedrally coordinated.

  13. The Binding of Roxarsone at the Silica/Water Interface Studied with Second Harmonic Generation

    NASA Astrophysics Data System (ADS)

    Konek, Christopher; Ostrowski, David; Geiger, Franz

    2005-03-01

    Arsenic is a carcinogen that can also cause chronic poisoning when ingested via drinking water in quantities as low as 10 micrograms/L. In the US, organic arsenicals such as Roxarsone are commonly used as feed additives in the poultry industry. The use of poultry litter as fertilizer results in environmental arsenic deposition rates of up to 50 metric tons per year; the subsequent environmental fate of Roxarsone is unknown. We use second harmonic generation (SHG) to study the thermodynamics and kinetics of Roxarsone binding to environmentally relevant mineral oxide/water interfaces. Roxarsone binding to water/SiO2 interfaces is fully reversible, consistent with high Roxarsone mobility. Results from Langmuir isotherm measurements and surface SHG spectra are presented as well.

  14. A study of reactant interfaces in Ni+Al particle systems during shock wave propagation

    NASA Astrophysics Data System (ADS)

    Austin, Ryan A.; McDowell, David L.; Horie, Yasuyuki; Benson, David J.

    2007-06-01

    Macro-scale responses of energetic materials during shock compression are influenced strongly by thermo-mechano-chemical processes occurring at the level of the microstructure. For example, it is believed that the propagation of chemical reactions in reactive particle systems is intimately linked to conditions at reactant interfaces such as surface temperature, phase changes, defect density, and mass mixing due to inelastic deformation. To provide explicit resolution of such interfacial conditions, numerical models are constructed. The finite element method is used to numerically solve the differential equations that govern the coupled thermomechanical response of micron-size particle mixtures of Ni and Al during shock wave propagation (interface chemistry is not yet modeled). The size and temperature distributions of contiguous reactant contact surfaces are quantified for a range of shock strengths. A parametric study of mixture attributes is undertaken to assess the sensitivity of the aforementioned distributions to variations of the microstructure.

  15. Molecular dynamics study of two-dimensional sum frequency generation spectra at vapor/water interface

    SciTech Connect

    Ishiyama, Tatsuya; Morita, Akihiro; Tahara, Tahei

    2015-06-07

    Two-dimensional heterodyne-detected vibrational sum frequency generation (2D HD-VSFG) spectra at vapor/water interface were studied by molecular dynamics (MD) simulation with a classical flexible and nonpolarizable model. The present model well describes the spectral diffusion of 2D infrared spectrum of bulk water as well as 2D HD-VSFG at the interface. The effect of isotopic dilution on the 2D HD-VSFG was elucidated by comparing the normal (H{sub 2}O) water and HOD water. We further performed decomposition analysis of 2D HD-VSFG into the hydrogen-bonding and the dangling (or free) OH vibrations, and thereby disentangled the different spectral responses and spectral diffusion in the 2D HD-VSFG. The present MD simulation demonstrated the role of anharmonic coupling between these modes on the cross peak in the 2D HD-VSFG spectrum.

  16. Cr/B4C multilayer mirrors: Study of interfaces and X-ray reflectance

    NASA Astrophysics Data System (ADS)

    Burcklen, C.; Soufli, R.; Dennetiere, D.; Polack, F.; Capitanio, B.; Gullikson, E.; Meltchakov, E.; Thomasset, M.; Jérome, A.; de Rossi, S.; Delmotte, F.

    2016-03-01

    We present an experimental study of the effect of layer interfaces on the x-ray reflectance in Cr/B4C multilayer interference coatings with layer thicknesses ranging from 0.7 nm to 5.4 nm. The multilayers were deposited by magnetron sputtering and by ion beam sputtering. Grazing incidence x-ray reflectometry, soft x-ray reflectometry, and transmission electron microscopy reveal asymmetric multilayer structures with a larger B4C-on-Cr interface, which we modeled with a 1-1.5 nm thick interfacial layer. Reflectance measurements in the vicinity of the Cr L2,3 absorption edge demonstrate fine structure that is not predicted by simulations using the currently tabulated refractive index (optical constants) values for Cr.

  17. Cr/B4C multilayer mirrors: Study of interfaces and X-ray reflectance

    DOE PAGES

    Burcklen, C.; Soufli, R.; Gullikson, E.; Meltchakov, E.; Dennetiere, D.; Polack, F.; Capitanio, B.; Thomasset, M.; Jerome, A.; de Rossi, S.; et al

    2016-03-24

    Here, we present an experimental study of the effect of layer interfaces on the x-ray reflectance in Cr/B4C multilayer interference coatings with layer thicknesses ranging from 0.7 nm to 5.4 nm. The multilayers were deposited by magnetron sputtering and by ion beam sputtering. Grazing incidence x-ray reflectometry, soft x-ray reflectometry, and transmission electron microscopy reveal asymmetric multilayer structures with a larger B4C-on-Cr interface, which we modeled with a 1–1.5 nm thick interfacial layer. Reflectance measurements in the vicinity of the Cr L2,3 absorption edge demonstrate fine structure that is not predicted by simulations using the currently tabulated refractive index (opticalmore » constants) values for Cr.« less

  18. Studies of ferroelectric heterostructure thin films and interfaces via in situ analytical techniques.

    SciTech Connect

    Auciello, O.; Dhote, A.; Gao, Y.; Gruen, D. M.; Im, J.; Irene, E. A.; Krauss, A. R.; Mueller, A. H.; Ramesh, R.

    1999-08-30

    The science and technology of ferroelectric thin films has experienced an explosive development during the last ten years. Low-density non-volatile ferroelectric random access memories (NVFRAMs) are now incorporated in commercial products such as ''smart cards'', while high permittivity capacitors are incorporated in cellular phones. However, substantial work is still needed to develop materials integration strategies for high-density memories. We have demonstrated that the implementation of complementary in situ characterization techniques is critical to understand film growth and interface processes, which play critical roles in film microstructure and properties. We are using uniquely integrated time of flight ion scattering and recoil spectroscopy (TOF-ISARS) and spectroscopic ellipsometry (SE) techniques to perform in situ, real-time studies of film growth processes in the high background gas pressure required to growth ferroelectric thin films. TOF-ISARS provides information on surface processes, while SE permits the investigation of buried interfaces as they are being formed. Recent studies on SrBi{sub 2}Ta{sub 2}O{sub 9} (SBT) and Ba{sub x}Sr{sub 1{minus}x}TiO{sub 3} (BST) film growth and interface processes are discussed.

  19. Theoretical study of binding and permeation of ether-based polymers through interfaces.

    PubMed

    Samanta, Susruta; Hezaveh, Samira; Roccatano, Danilo

    2013-11-27

    We present a molecular dynamics simulation study on the interactions of poly(ethylene oxide) (PEO), poly(propylene oxide) (PPO), and their ABA-type block copolymer, poloxamers, at water/n-heptane and 1,2-dimyristoyl-sn-glycero-3-phospatidycholine (DMPC) lipid bilayer/water interfaces. The partition coefficients in water/1-octanol of the linear polyethers up to three monomers were calculated. The partition coefficients evidenced a higher hydrophobicity of the PPO in comparison to PEO. At the water/n-heptane interface, the polymers tend to adopt elongated conformations in agreement with similar experimental ellipsometry studies of different poloxamers. In the case of the poloxamers at the n-heptane/water interface, the stronger preference of the PPO block for the hydrophobic phase resulted in bottle-brush-type polymer conformations. At lipid bilayer/water interface, the PEO polymers, as expected from their hydrophilic nature, are weakly adsorbed on the surface of the lipid bilayer and locate in the water phase close to the headgroups. The free energy barriers of permeation calculated for short polymer chains suggest a thermodynamics propensity for the water phase that increase with the chain length. The lower affinity of PEO for the hydrophobic interior of the lipid bilayer resulted in the spontaneous expulsion within the simulation time. On the contrary, PPO chains and poloxamers have a longer residence time inside the bilayer, and they tend to concentrate in the tail region of the bilayer near the polar headgroups. In addition, polymers with PPO unit length comparable to the thickness of the hydrophobic region of the bilayer tend to span across the bilayer.

  20. Theoretical study of binding and permeation of ether-based polymers through interfaces.

    PubMed

    Samanta, Susruta; Hezaveh, Samira; Roccatano, Danilo

    2013-11-27

    We present a molecular dynamics simulation study on the interactions of poly(ethylene oxide) (PEO), poly(propylene oxide) (PPO), and their ABA-type block copolymer, poloxamers, at water/n-heptane and 1,2-dimyristoyl-sn-glycero-3-phospatidycholine (DMPC) lipid bilayer/water interfaces. The partition coefficients in water/1-octanol of the linear polyethers up to three monomers were calculated. The partition coefficients evidenced a higher hydrophobicity of the PPO in comparison to PEO. At the water/n-heptane interface, the polymers tend to adopt elongated conformations in agreement with similar experimental ellipsometry studies of different poloxamers. In the case of the poloxamers at the n-heptane/water interface, the stronger preference of the PPO block for the hydrophobic phase resulted in bottle-brush-type polymer conformations. At lipid bilayer/water interface, the PEO polymers, as expected from their hydrophilic nature, are weakly adsorbed on the surface of the lipid bilayer and locate in the water phase close to the headgroups. The free energy barriers of permeation calculated for short polymer chains suggest a thermodynamics propensity for the water phase that increase with the chain length. The lower affinity of PEO for the hydrophobic interior of the lipid bilayer resulted in the spontaneous expulsion within the simulation time. On the contrary, PPO chains and poloxamers have a longer residence time inside the bilayer, and they tend to concentrate in the tail region of the bilayer near the polar headgroups. In addition, polymers with PPO unit length comparable to the thickness of the hydrophobic region of the bilayer tend to span across the bilayer. PMID:24219592

  1. Dual functions of TiC nanoparticles on tribological performance of Al/graphite composites

    NASA Astrophysics Data System (ADS)

    Fallahdoost, Hamid; Nouri, Alireza; Azimi, Amin

    2016-06-01

    In this study, the effect of TiC nanoparticles as a reinforcement on the mechanical and tribological properties of Aluminum-based self lubricating composite was investigated. The microstructure, relative density, hardness, and tribological properties of Al/graphite and Al/TiC/graphite composites were examined as a function of graphite content. The tribo-surfaces of the samples were analyzed using SEM and EDS elemental mapping. The results indicated that the addition of TiC nanoparticles not only decreased the wear rate and coefficient of friction of the composites, but also facilitated the formation of a stable graphite layer at longer sliding distances and high sliding velocities by forming a durable graphite/TiC composite on the tribo-surface. Therefore, the stability of graphite layer can be considered as a possible cause for decrease in wear rate of the Al/TiC/graphite composite.

  2. Effects of Oxidation on Oxidation-Resistant Graphite

    SciTech Connect

    Windes, William; Smith, Rebecca; Carroll, Mark

    2015-05-01

    The Advanced Reactor Technology (ART) Graphite Research and Development Program is investigating doped nuclear graphite grades that exhibit oxidation resistance through the formation of protective oxides on the surface of the graphite material. In the unlikely event of an oxygen ingress accident, graphite components within the VHTR core region are anticipated to oxidize so long as the oxygen continues to enter the hot core region and the core temperatures remain above 400°C. For the most serious air-ingress accident which persists over several hours or days the continued oxidation can result in significant structural damage to the core. Reducing the oxidation rate of the graphite core material during any air-ingress accident would mitigate the structural effects and keep the core intact. Previous air oxidation testing of nuclear-grade graphite doped with varying levels of boron-carbide (B4C) at a nominal 739°C was conducted for a limited number of doped specimens demonstrating a dramatic reduction in oxidation rate for the boronated graphite grade. This report summarizes the conclusions from this small scoping study by determining the effects of oxidation on the mechanical strength resulting from oxidation of boronated and unboronated graphite to a 10% mass loss level. While the B4C additive did reduce mechanical strength loss during oxidation, adding B4C dopants to a level of 3.5% or more reduced the as-fabricated compressive strength nearly 50%. This effectively minimized any benefits realized from the protective film formed on the boronated grades. Future work to infuse different graphite grades with silicon- and boron-doped material as a post-machining conditioning step for nuclear components is discussed as a potential solution for these challenges in this report.

  3. Density of intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Slabe, Melissa E.

    1990-01-01

    The density of Amoco P-55, P-75, P-100, and P-120 pitch-based graphite fibers and their intercalation compounds with bromine, iodine monochloride, and copper (II) chloride have been measured using a density gradient column. The distribution of densities within a fiber type is found to be a sensitive indicator of the quality of the intercalation reaction. In all cases the density was found to increase, indicating that the mass added to the graphite is dominant over fiber expansion. Density increases are small (less than 10 percent) giving credence to a model of the intercalated graphite fibers which have regions which are intercalated and regions which are not.

  4. Density of intercalated graphite fibers

    NASA Technical Reports Server (NTRS)

    Gaier, James R.; Slabe, Melissa E.

    1989-01-01

    The density of Amoco P-55, P-75, P-100, and P-120 pitch-based graphite fibers and their intercalation compounds with bromine, iodine monochloride, and copper (II) chloride have been measured using a density gradient column. The distribution of densities within a fiber type is found to be a sensitive indicator of the quality of the intercalation reaction. In all cases the density was found to increase, indicating that the mass added to the graphite is dominant over fiber expansion. Density increases are small (less than 10 percent) giving credence to a model of the intercalated graphite fibers which have regions which are intercalated and regions which are not.

  5. Spent graphite fuel element processing

    SciTech Connect

    Holder, N.D.; Olsen, C.W.

    1981-07-01

    The Department of Energy currently sponsors two programs to demonstrate the processing of spent graphite fuel elements. General Atomic in San Diego operates a cold pilot plant to demonstrate the processing of both US and German high-temperature reactor fuel. Exxon Nuclear Idaho Company is demonstrating the processing of spent graphite fuel elements from Rover reactors operated for the Nuclear Rocket Propulsion Program. This work is done at Idaho National Engineering Laboratory, where a hot facility is being constructed to complete processing of the Rover fuel. This paper focuses on the graphite combustion process common to both programs.

  6. The importance of the active surface area of graphite materials in the first lithium intercalation

    NASA Astrophysics Data System (ADS)

    Novák, P.; Ufheil, J.; Buqa, H.; Krumeich, F.; Spahr, M. E.; Goers, D.; Wilhelm, H.; Dentzer, J.; Gadiou, R.; Vix-Guterl, C.

    When lithium is intercalated into graphite in ethylene carbonate (EC) containing electrolytes, solvent co-intercalation leading to the exfoliation of the graphite structure could occur. The exfoliation can be suppressed if an efficient solid electrolyte interphase (SEI, a passivation layer) is formed. Here we study the role played by the active surface area (ASA) of graphite materials during their first electrochemical reduction. ASA (related to the presence of defects at the carbon surface) appears as a critical graphite surface parameter influencing the surface passivation mechanism and the graphite exfoliation. The ASA of TIMREX ® SLX50 synthetic graphite was modified by thermal treatment in argon and air. The electrochemical performance was characterized in 1 M LiPF 6, EC:DMC electrolyte and post mortem analyses were performed by SEM imaging. It turned out that a decrease of the graphite ASA, i.e., an increase of the graphite structural order, hinders the formation of the passivation layer and favors the exfoliation process. In contrast, the exfoliation of the same graphite can be suppressed if its ASA is increased for example by air treatment. The ASA of the graphite kinetically controls the formation of an efficient SEI film and accordingly the irreversible charge loss is much lower in the case of graphite with a high ASA value.

  7. Performance Properties of Graphite Reinforced Composites with Advanced Resin Matrices

    NASA Technical Reports Server (NTRS)

    Kourtides, Demetrius A.

    1980-01-01

    This article looks at the effect of different resin matrices on thermal and mechanical properties of graphite composites, and relates the thermal and flammability properties to the anaerobic char yield of the resins. The processing parameters of graphite composites utilizing graphite fabric and epoxy or other advanced resins as matrices are presented. Thermoset resin matrices studied were: aminecured polyfunctional glycidyl aminetype epoxy (baseline), phenolicnovolac resin based on condensation of dihydroxymethyl-xylene and phenol cured with hexamine, two types of polydismaleimide resins, phenolic resin, and benzyl resin. The thermoplastic matrices studied were polyethersulfone and polyphenylenesulfone. Properties evaluated in the study included anaerobic char yield, limiting oxygen index, smoke evolution, moisture absorption, and mechanical properties at elevated temperatures including tensile, compressive, and short-beam shear strengths. Generally, it was determined that graphite composites with the highest char yield exhibited optimum fire-resistant properties.

  8. Effects of Alkyl Chain Length and Hydrogen Bonds on the Cooperative Self-Assembly of 2-Thienyl-Type Diarylethenes at a Liquid/Highly Oriented Pyrolytic Graphite (HOPG) Interface.

    PubMed

    Yokoyama, Soichi; Hirose, Takashi; Matsuda, Kenji

    2015-09-21

    An appropriate understanding of the process of self-assembly is of critical importance to tailor nanostructured order on 2D surfaces with functional molecules. Photochromic compounds are promising candidates for building blocks of advanced photoresponsive surfaces. To investigate the relationship between molecular structure and the mechanism of ordering formation, 2-thienyl-type diarylethenes with various lengths of alkyl side chains linked through an amide or ester group were synthesized. Their self-assemblies at a liquid/solid interface were investigated by scanning tunneling microscopy (STM). The concentration dependence of the surface coverage was analyzed by using a cooperative model for a 2D surface based on two characteristic parameters: the nucleation equilibrium constant (Kn) and the elongation equilibrium constant (Ke). The following conclusions can be drawn. 1) The concentration at which a stable 2D molecular ordering is observed by STM exponentially decreases with increasing length of the alkyl chain. 2) Compounds bearing amide groups have higher degrees of cooperativity in self-assembly on 2D surfaces (i.e., σ, which is defined as Kn/Ke) than compounds with ester groups. 3) The self-assembly process of the open-ring isomer of an ester derivative is close to isodesmic, whereas that of the closed-ring isomer is cooperative because of the difference in equilibrium constants for the nucleation step (i.e., Kn) between the two isomers.

  9. Measurements of slip length for flows over graphite surface with gas domains

    NASA Astrophysics Data System (ADS)

    Li, Dayong; Wang, Yuliang; Pan, Yunlu; Zhao, Xuezeng

    2016-10-01

    We present the measurements of slip lengths for the flows of purified water over graphite surface covered with surface nanobubbles or nano/micropancakes, which can be produced after using high temperature water to replace low temperature water. The slip length values measured on bare graphite surface, nano/micropancake or nanobubble covered graphite surfaces are about 8 nm, 27 nm, and 63 nm, respectively. Our results indicate that the gaseous domains formed at the solid-liquid interface, including surface nanobubbles and nano/micropancakes, could act as a lubricant and significantly increase slip length.

  10. METHOD OF OBTAINING UNIFORM COATINGS ON GRAPHITE

    DOEpatents

    Campbell, I.E.

    1961-04-01

    A method is given for obtaining uniform carbide coatings on graphite bodies. According to the invention a metallic halide in vapor form is passed over the graphite body under such conditions of temperature and pressure that the halide reacts with the graphite to form a coating of the metal carbide on the surface of the graphite.

  11. Method of Obtaining Uniform Coatings on Graphite

    DOEpatents

    Campbell, I. E.

    1961-04-01

    A method is given for obtaining uniform carbide coatings on graphite bodies. According to the invention a metallic halide in vapor form is passed over the graphite body under such conditions of temperature and pressure that the halide reacts with the graphite to form a coating of the metal carbide on the surface of the graphite.

  12. Mineral resource of the month: graphite

    USGS Publications Warehouse

    ,

    2008-01-01

    The article presents facts about graphite ideal for industrial applications. Among the characteristics of graphite are its metallic luster, softness, perfect basal cleavage and electrical conductivity. Batteries, brake linings and powdered metals are some of the products that make use of graphite. It attributes the potential applications for graphite in high-technology fields to innovations in thermal technology and acid-leaching techniques.

  13. Study of surface charge density on solid/liquid interfaces by modulating the electrical double layer

    NASA Astrophysics Data System (ADS)

    Pak, Hyuk Kyu; Moon, Jong Kyun

    2014-11-01

    A solid surface in contact with water or aqueous solution usually carries specific electric charges. These surface charges attract counter ions from the liquid side. Since the geometry of opposite charge distribution parallel to the solid/liquid interface is similar to that of a capacitor, it is called an electrical double layer capacitor (EDLC). Therefore, there is an electrical potential difference across an EDLC in equilibrium. When a liquid bridge is formed between two conducting plates, the system behaves as two serially connected EDLCs. In this work, we propose a new method for investigating the surface charge density on solid/liquid interfaces. By mechanically modulating the electrical double layers and simultaneously applying a DC bias voltage across the plates, an AC electric current can be generated. By measuring the voltage difference between the plates as a function of bias voltage, we can study the surface charge density on solid/liquid interfaces. Our experimental results agree very well with the simple equivalent circuit model proposed here. Furthermore, using this method, one can determine the polarity of the adsorbed state on the solid surface depending on the material used. This work was supported by Center for Soft and Living Matter through IBS program in Korea.

  14. Spectroscopic studies of U(VI) sorption at the kaolinite-water interface. Final report

    SciTech Connect

    Thompson, H.A.; Parks, G.A.; Brown, G.E. Jr.

    1994-06-01

    Efficient use of U as a resource and safe handling, recycling and disposal of U-containing wastes require an understanding of the factors controlling the fate of U, where fate refers to the destination of U, typically expressed as an environmental medium or a process phase. The sorption process constitutes a change in elemental fate. Partitioning of an element from solution to a solid phase, or sorption, can be divided into three broad categories: adsorption, surface precipitation, and absorption. Extended X-ray absorption fine structure (EXAFS), a type of X-ray absorption spectroscopy (XAS), offers the possibility for distinguishing among different modes of sorption by characterizing the atomic environment of the sorbing element. In this study, the authors use EXAFS to determine the structure of U(VI) sorption complexes at the kaolinite-water interface. In Chapter One, they present an overview of selected aspects of U structural chemistry as a basis for considering the structural environment of U at the solid-water interface. To evaluate the utility of XAS for characterization of the structural environment of U(VI) at the solid-water interface, they have carried out an in-depth analysis of XAS data from U(VI)-containing solid and solution model compounds, which they describe in Chapter Two. In Chapter three, they consider sorption of U by kaolinite as a means of effecting the removal of U from surface collection pond waters on the Rocky Flats Plant site in northern Colorado.

  15. A comparative study about electronic structures at rubrene/Ag and Ag/rubrene interfaces

    SciTech Connect

    Sinha, Sumona Mukherjee, M.

    2015-10-15

    The contact between the electrode and the organic semiconductor is one of the most crucial factors in determining the organic device performance. The development and production technology of different organic devices require the understanding of different types of metal/organic semiconducting thin film interfaces. Comparisons about the electronic structures at Rubrene/Ag and Ag/Rubrene interfaces have been studied using photoemission spectroscopy. The Ag on rubrene interfaces is found to show more interesting and complex natures than its counterpart. The vacuum level (VL) was shifted about 0.51 eV from push back effect for deposition of 5 Å rubrene onto Ag film whereas the electronic features of silver was only suppressed and no energy shift was resulted. While the deposition of 5 Å Ag onto rubrene film leads to the diffusion of the Ag atoms, as a cluster with quantum size effect, inside the film. Angle dependent XPS measurement indicates that diffused metal clusters were present at entire probed depth of the film. Moreover these clusters dope the uppermost surface of the rubrene film which consequences a shift of the electronic states of thick organic film towards higher binding energy. The VL was found to shift about 0.31 eV toward higher binding energy whereas the shift was around 0.21 eV for the electronic states of rubrene layer.

  16. A comparative study about electronic structures at rubrene/Ag and Ag/rubrene interfaces

    NASA Astrophysics Data System (ADS)

    Sinha, Sumona; Mukherjee, M.

    2015-10-01

    The contact between the electrode and the organic semiconductor is one of the most crucial factors in determining the organic device performance. The development and production technology of different organic devices require the understanding of different types of metal/organic semiconducting thin film interfaces. Comparisons about the electronic structures at Rubrene/Ag and Ag/Rubrene interfaces have been studied using photoemission spectroscopy. The Ag on rubrene interfaces is found to show more interesting and complex natures than its counterpart. The vacuum level (VL) was shifted about 0.51 eV from push back effect for deposition of 5 Å rubrene onto Ag film whereas the electronic features of silver was only suppressed and no energy shift was resulted. While the deposition of 5 Å Ag onto rubrene film leads to the diffusion of the Ag atoms, as a cluster with quantum size effect, inside the film. Angle dependent XPS measurement indicates that diffused metal clusters were present at entire probed depth of the film. Moreover these clusters dope the uppermost surface of the rubrene film which consequences a shift of the electronic states of thick organic film towards higher binding energy. The VL was found to shift about 0.31 eV toward higher binding energy whereas the shift was around 0.21 eV for the electronic states of rubrene layer.

  17. Solid-state {sup 19}F and {sup 13}C NMR of room temperature fluorinated graphite and samples thermally treated under fluorine: Low-field and high-resolution studies

    SciTech Connect

    Giraudet, J.; Dubois, M.; Guerin, K.; Pinheiro, J.P.; Hamwi, A.; Stone, W.E.E.; Pirotte, P.; Masin, F. . E-mail: fmasin@ulb.ac.be

    2005-04-15

    Room temperature graphite fluorides consisting of raw material and samples post-treated in pure fluorine atmosphere in the temperature range 100-500 deg. C have been studied by solid-state NMR. Several NMR approaches have been used, both high and low-field {sup 19}F, {sup 19}F MAS and {sup 13}C MAS with {sup 19}F to {sup 13}C cross polarization. The modifications, in the graphitic lattice, of the catalytic iodine fluorides products have been examined. A transformation of the C-F bond character from semi-ionic to covalent has been found to occur at a post-treatment temperature close to 400 deg. C. It is shown that covalency increases with temperature.

  18. Modeling graphite anodes with serial and transmission line models

    NASA Astrophysics Data System (ADS)

    Illig, J.; Ender, M.; Weber, A.; Ivers-Tiffée, E.

    2015-05-01

    Electrochemical impedance spectroscopy (EIS) is an indispensable technique for the investigation of polarization processes in Lithium-ion Batteries. These cause performance limitation or degradation. A physically meaningful impedance model is key when drawing conclusions on further cell improvement. This study introduces an in-depth impedance analysis of a commercial high-power graphite anode. The impedance spectra measured between 0 °C and 30 °C and 0%-100% SOC were analyzed by the distribution of relaxation times (DRT-method), enabling a separation of loss processes by their individual time constants. Using this method, we separated charge transfer resistance and solid electrolyte interface resistance at medium frequencies (10 Hz-200 Hz) and the contact resistance anode/current collector in the at high frequency range (5 kHz-100 kHz). Two fundamentally different model structures were set up, either (i) two modifications of a serial model connecting RQ-elements and a Warburg element for solid state diffusion, or (ii) three modifications of a transmission line model with one-path or two-path design. The suitability of all serial and TLM model structures was tested, and the fitting procedure was supported using microstructure parameters gained from x-ray tomography. The favored one-path transmission line model reveals that the lithium-ion transport in the electrolyte contributes more to polarization than expected. Impediment of lithium-ion transport is caused by the pore structure and the tortuosity of the high-power graphite anode, and has to be considered for meaningful interpretation of impedance spectra.

  19. The adsorption of aromatic acids onto the graphite basal surface

    NASA Astrophysics Data System (ADS)

    Martin, David S.

    2003-06-01

    The adsorption of benzoic acid, toluic acid, and salicylic acid from solution onto the graphite basal surface has been studied using atomic force microscopy (AFM). A systematic study of these three related planar aromatic acids is conducted in order to observe the influence of the functional side-group upon adsorption. It is found that upon adsorption all three acids orient with the benzene ring parallel to the graphite surface. On the graphite terraces, the benzoic acid decoration follows a Stranski-Krastanov growth mode whereas toluic acid follows Volmer-Weber growth. Salicylic acid forms a fibrous aggregate network. In addition to the terraces, graphite steps and near-surface bulk defects are found to be important sites for adsorption. The AFM tip is used to create irreversible nanoscale modifications of adsorbate structures.

  20. Development and fabrication of a graphite polyimide box beam

    NASA Technical Reports Server (NTRS)

    Nadler, M. A.; Darms, F. J.

    1972-01-01

    The state-of-the-art of graphite/polyimide structures was evaluated and key design and fabrication issues to be considered in future hardware programs are defined. The fabrication and testing at 500 F of a graphite/polyimide center wing box beam using OV-10A aircraft criteria was accomplished. The baseline design of this box was developed in a series of studies of other advanced composite materials: glass/epoxy, boron/epoxy, and boron/polyimide. The use of this basic design permits ready comparison of the performance of graphite/polyimide with these materials. Modifications to the baseline composite design were made only in those areas effected by the change of materials. Processing studies of graphite fiber polyimide resins systems resulted in the selection of a Modmor II/Gemon L material.

  1. Design development of graphite primary structures enables SSTO success

    NASA Astrophysics Data System (ADS)

    Biagiotti, V. A.; Yahiro, J. S.; Suh, Daniel E.; Hodges, Eric R.; Prior, Donald J.

    1997-01-01

    This paper describes the development of a graphite composite wing and a graphite composite intertank primary structure for application toward Single-Stage to Orbit space vehicles such as those under development in NASA's X-33/Reusable Launch Vehicle (RLV) Program. The trade study and designs are based on a Rockwell vertical take-off and horizontal landing (VTHL) wing-body RLV vehicle. Northrop Grumman's approach using a building block development technique is described. Composite Graphite/Bismaleimide (Gr/BMI) material characterization test results are presented. Unique intertank and wing composite subcomponent test article designs are described and test results to date are presented. Wing and intertank Full Scale Section Test Article (FSTA) objectives and designs are outlined. Trade studies, supporting building block testing, and FSTA demonstrations combine to develop graphite primary structure composite technology that enables developing X-33/RLV design programs to meet critical SSTO structural weight and operations performance criteria.

  2. The effect of multiple layers of linens on surface interface pressure: results of a laboratory study.

    PubMed

    Williamson, Rachel; Lachenbruch, Charlie; Vangilder, Catherine

    2013-06-01

    Underpads and layers of linens are frequently placed under patients who are incontinent, have other moisture-related issues, and/or are immobile and cannot reposition independently. Many of these patients are also at risk for pressure ulcers and placed on pressure-redistribution surfaces. The purpose of this study was to measure the effects of linens and incontinence pads on interface pressure. Interface sacral pressures were measured (mm Hg) using a mannequinlike pelvic indenter that has pressure transducers integrated into the unit and is covered with a soft flesh-like elastomer. The indenter was loaded to simulate a median-weight male (80 kg/176 lb), and the testing was performed at head-of bed (HOB) angles of 0°, 30°, and 45°. Two different surfaces, a high performance low-air-loss support (LAL) surface and a standard foam support surface, were used and covered with a fitted sheet (FS) only or a combination of the FS and various incontinence pads and transfer sheets. Linen combinations typically used for relatively immobile patients (n = 4), moisture management (n = 4), and moisture management and immobility (n = 1) were tested, as was the heavy use of linens/pads (nine layers, n = 1). All combinations were tested 10 times at HOB angles of 0°, 30°, and 45°. The highest pressure observed was recorded (peak pressure). Ninety five percent (95%) confidence interval (CI) surrounding the mean of the 10 trials for each combination was calculated using the t-distribution; differences between means for all surface combinations were determined using one-way ANOVA with follow-up Fisher Hayter test. Results indicated that each incontinence pad, transfer sheet, or combination of linens significantly increased the mean peak sacral pressure when compared to a single FS on both the low-air-loss surface and the foam surface, regardless of the head-of-bed angle. The magnitude of peak sacral interface pressure increase for the LAL surface at 30° head-of-bed angle was 20

  3. Graphite for the nuclear industry

    SciTech Connect

    Burchell, T.D.; Fuller, E.L.; Romanoski, G.R.; Strizak, J.P.

    1991-01-01

    Graphite finds applications in both fission and fusion reactors. Fission reactors harness the energy liberated when heavy elements, such as uranium or plutonium, fragment or fission''. Reactors of this type have existed for nearly 50 years. The first nuclear fission reactor, Chicago Pile No. 1, was constructed of graphite under a football stand at Stagg Field, University of Chicago. Fusion energy devices will produce power by utilizing the energy produced when isotopes of the element hydrogen are fused together to form helium, the same reaction that powers our sun. The role of graphite is very different in these two reactor systems. Here we summarize the function of the graphite in fission and fusion reactors, detailing the reasons for their selection and discussing some of the challenges associated with their application in nuclear fission and fusion reactors. 10 refs., 15 figs., 1 tab.

  4. CALANDRIA TYPE SODIUM GRAPHITE REACTOR

    DOEpatents

    Peterson, R.M.; Mahlmeister, J.E.; Vaughn, N.E.; Sanders, W.J.; Williams, A.C.

    1964-02-11

    A sodium graphite power reactor in which the unclad graphite moderator and fuel elements are contained within a core tank is described. The core tank is submersed in sodium within the reactor vessel. Extending longitudinally through the core thnk are process tubes with fuel elements positioned therein. A bellows sealing means allows axial expansion and construction of the tubes. Within the core tank, a leakage plenum is located below the graphite, and above the graphite is a gas space. A vent line regulates the gas pressure in the space, and another line removes sodium from the plenum. The sodium coolant flows from the lower reactor vessel through the annular space between the fuel elements and process tubes and out into the reactor vessel space above the core tank. From there, the heated coolant is drawn off through an outlet line and sent to the heat exchange. (AEC)

  5. Graphite-reinforced bone cement

    NASA Technical Reports Server (NTRS)

    Knoell, A. C.

    1976-01-01

    Chopped graphite fibers added to surgical bone cement form bonding agent with mechanical properties closely matched to those of bone. Curing reaction produces less heat, resulting in reduced traumatization of body tissues. Stiffness is increased without affecting flexural strength.

  6. Intercalated hybrid graphite fiber composite

    NASA Technical Reports Server (NTRS)

    Gaier, James R. (Inventor)

    1993-01-01

    The invention is directed to a highly conductive lightweight hybrid material and methods of producing the same. The hybrid composite is obtained by weaving strands of a high strength carbon or graphite fiber into a fabric-like structure, depositing a layer of carbon onto the structure, heat treating the structure to graphitize the carbon layer, and intercalating the graphitic carbon layer structure. A laminate composite material useful for protection against lightning strikes comprises at least one layer of the hybrid material over at least one layer of high strength carbon or graphite fibers. The composite material of the present invention is compatible with matrix compounds, has a coefficient of thermal expansion which is the same as underlying fiber layers, and is resistant to galvanic corrosion in addition to being highly conductive. These materials are useful in the aerospace industry, in particular as lightning strike protection for airplanes.

  7. Structure and Phase Transitions of Monolayers of Intermediate-length n-alkanes on Graphite Studied by Neutron Diffraction and Molecular Dynamics Simulation

    SciTech Connect

    Taub, H.; Hansen, F.Y.; Diama, Amand; Matthies, Blake; Criswell, Leah; Mo, Haiding; Bai, M; Herwig, Kenneth W

    2009-01-01

    We present evidence from neutron diffraction measurements and molecular dynamics (MD) simulations of three different monolayer phases of the intermediate-length alkanes tetracosane (n-C(24)H(50) denoted as C24) and dotriacontane (n-C(32)H(66) denoted as C32) adsorbed on a graphite basal-plane surface. Our measurements indicate that the two monolayer films differ principally in the transition temperatures between phases. At the lowest temperatures, both C24 and C32 form a crystalline monolayer phase with a rectangular-centered (RC) structure. The two sublattices of the RC structure each consists of parallel rows of molecules in their all-trans conformation aligned with their long axis parallel to the surface and forming so-called lamellas of width approximately equal to the all-trans length of the molecule. The RC structure is uniaxially commensurate with the graphite surface in its [110] direction such that the distance between molecular rows in a lamella is 4.26 A=sqrt[3a(g)], where a(g)=2.46 A is the lattice constant of the graphite basal plane. Molecules in adjacent rows of a lamella alternate in orientation between the carbon skeletal plane being parallel and perpendicular to the graphite surface. Upon heating, the crystalline monolayers transform to a 'smectic' phase in which the inter-row spacing within a lamella expands by approximately 10% and the molecules are predominantly oriented with the carbon skeletal plane parallel to the graphite surface. In the smectic phase, the MD simulations show evidence of broadening of the lamella boundaries as a result of molecules diffusing parallel to their long axis. At still higher temperatures, they indicate that the introduction of gauche defects into the alkane chains drives a melting transition to a monolayer fluid phase as reported previously.

  8. Structure and phase transitions of monolayers of intermediate-length n-alkanes on graphite studied by neutron diffraction and molecular dynamics simulation.

    PubMed

    Diama, A; Matthies, B; Herwig, K W; Hansen, F Y; Criswell, L; Mo, H; Bai, M; Taub, H

    2009-08-28

    We present evidence from neutron diffraction measurements and molecular dynamics (MD) simulations of three different monolayer phases of the intermediate-length alkanes tetracosane (n-C(24)H(50) denoted as C24) and dotriacontane (n-C(32)H(66) denoted as C32) adsorbed on a graphite basal-plane surface. Our measurements indicate that the two monolayer films differ principally in the transition temperatures between phases. At the lowest temperatures, both C24 and C32 form a crystalline monolayer phase with a rectangular-centered (RC) structure. The two sublattices of the RC structure each consists of parallel rows of molecules in their all-trans conformation aligned with their long axis parallel to the surface and forming so-called lamellas of width approximately equal to the all-trans length of the molecule. The RC structure is uniaxially commensurate with the graphite surface in its [110] direction such that the distance between molecular rows in a lamella is 4.26 A=sqrt[3a(g)], where a(g)=2.46 A is the lattice constant of the graphite basal plane. Molecules in adjacent rows of a lamella alternate in orientation between the carbon skeletal plane being parallel and perpendicular to the graphite surface. Upon heating, the crystalline monolayers transform to a "smectic" phase in which the inter-row spacing within a lamella expands by approximately 10% and the molecules are predominantly oriented with the carbon skeletal plane parallel to the graphite surface. In the smectic phase, the MD simulations show evidence of broadening of the lamella boundaries as a result of molecules diffusing parallel to their long axis. At still higher temperatures, they indicate that the introduction of gauche defects into the alkane chains drives a melting transition to a monolayer fluid phase as reported previously.

  9. High Spatial Resolution Study of Microbe-Carbonate-Silicate Interfaces by FIB and TEM

    NASA Astrophysics Data System (ADS)

    Benzerara, K.; Menguy, N.; Guyot, F.; Vanni, C.; Gillet, P.

    2003-12-01

    High resolution transmission electron microscopy (HRTEM), chemical micro-analysis (EDX) and electron energy loss spectroscopy (EELS) are among the most powerful analytical techniques for studying microbe-mineral interactions, allowing to observe the microbe-mineral interface at almost the angstrom scale, to evidence transformations of the mineral structure and chemical alterations at the nanometer scale. However, the samples must be very thin and only a small area can be investigated. A key limitation for using this technique is thus to prepare natural geomicrobiological samples which combine hard minerals, preventing use of ultramicrotomy, with soft organic matter inadequate to ion milling procedures. Additionaly the areas of interest are usually restricted to few micrometer large areas which have to be selected from macroscopic samples. In this study we present two procedures : micromanipulation and FIB (Focused Ion Beam) which allow the study of microbe-mineral interfaces with TEM. The micromanipulation procedure has been presented in Benzerara et al (2003, PNAS). We have evidenced nannobacteria-like objects at the surface of the Tatahouine orthopyroxenite meteorite fallen in the tunisian desert in 1931. SEM observations suggest a complex interaction pattern between the nannobacteria-like objects, the pyroxene and microorganisms which have colonized the surface of the meteorite during its seventy years of residence on Earth. The TEM study on the very same area shows that the nannobacteria-like rods are actually well-crystallized nanometric calcite single crystals surrounded by an amorphous layer of carbonate composition. Those morphologies and structures are unusual for calcite single crystals. We discuss these observations in regard to the criteria of biogenicity i.e. biosignatures. Moreover, we examine the implications for carbonate production associated to silicate bio-weathering under aridic conditions. This work is relevant both to astrobiological and

  10. Irradiation Induced Creep of Graphite

    SciTech Connect

    Burchell, Timothy D; Murty, Prof K.L.; Eapen, Dr. Jacob

    2010-01-01

    The current status of graphite irradiation induced creep strain prediction is reviewed and the major creep models are described. The ability of the models to quantitatively predict the irradiation induced creep strain of graphite is reported. Potential mechanisms of in-crystal creep are reviewed as are mechanisms of pore generation under stress. The case for further experimental work is made and the need for improved creep models across multi-scales is highlighted.

  11. Molecular interactions at the hexadecane/water interface in the presence of surfactants studied with second harmonic generation

    NASA Astrophysics Data System (ADS)

    Sang, Yajun; Yang, Fangyuan; Chen, Shunli; Xu, Hongbo; Zhang, Si; Yuan, Qunhui; Gan, Wei

    2015-06-01

    It is important to investigate the influence of surfactants on structures and physical/chemical properties of oil/water interfaces. This work reports a second harmonic generation study of the adsorption of malachite green (MG) on the surfaces of oil droplets in a hexadecane/water emulsion in the presence of surfactants including sodium dodecyl sulfate, polyoxyethylene-sorbitan monooleate (Tween80), and cetyltrimethyl ammonium bromide. It is revealed that surfactants with micromolar concentrations notably influence the adsorption of MG at the oil/water interface. Both competition adsorption and charge-charge interactions played very important roles in affecting the adsorption free energy and the surface density of MG at the oil/water interface. The sensitive detection of the changing oil/water interface with the adsorption of surfactants at such low concentrations provides more information for understanding the behavior of these surfactants at the oil/water interface.

  12. Atom-probe tomographic study of interfaces of Cu{sub 2}ZnSnS{sub 4} photovoltaic cells

    SciTech Connect

    Tajima, S. Asahi, R.; Itoh, T.; Hasegawa, M.; Ohishi, K.; Isheim, D.; Seidman, D. N.

    2014-09-01

    The heterophase interfaces between the CdS buffer layer and the Cu{sub 2}ZnSnS{sub 4} (CZTS) absorption layers are one of the main factors affecting photovoltaic performance of CZTS cells. We have studied the compositional distributions at heterophase interfaces in CZTS cells using three-dimensional atom-probe tomography. The results demonstrate: (a) diffusion of Cd into the CZTS layer; (b) segregation of Zn at the CdS/CZTS interface; and (c) a change of oxygen and hydrogen concentrations in the CdS layer depending on the heat treatment. Annealing at 573 K after deposition of CdS improves the photovoltaic properties of CZTS cells probably because of the formation of a heterophase epitaxial junction at the CdS/CZTS interface. Conversely, segregation of Zn at the CdS/CZTS interface after annealing at a higher temperature deteriorates the photovoltaic properties.

  13. Study of laser-generated interfacial waves and their interaction with a defect at solid-fluid interface

    NASA Astrophysics Data System (ADS)

    Yan, Zhao; Bixing, Zhang; Liping, Xue

    2016-01-01

    The analysis of the pulsed laser generation of interfacial waves propagating along a plane solid-fluid interface and their interaction with a defect (notch) on the interface are presented. The solid-fluid interface motion due to laser-generated interfacial waves including leaky Rayleigh and Scholte wave is simulated by finite element method for two configurations, one is "hard solid-fluid" interface, like steel-water, the other one is "soft solid-fluid" interface, like Plexiglas-water. And then their interaction with a notch-like defect in the interface has also been studied. Two series defects are introduced into the interface. One is with same width but different depth, and the other one with the same depth but different width. For hard and soft solid-fluid configurations, leaky Rayleigh and Scholte wave is severely affected by the notch, respectively. In contrast, Scholte and leaky Rayleigh wave experiences almost no influence for hard and soft solid-fluid interface. The results may lead to an application for defect identification and nondestructive materials characterization.

  14. Studies of surface and interface segregation in polymer blends by secondary ion mass spectrometry

    NASA Astrophysics Data System (ADS)

    Schwarz, S. A.; Wilkens, B. J.; Pudensi, M. A. A.; Rafailovich, M. H.; Sokolov, J.; Zhao, X.; Zhao, W.; Zheng, X.; Russell, T. P.; Jones, R. A. L.

    Dynamic secondary ion mass spectrometry (SIMS) has recently been employed to obtain high resolution depth profiles in polymer blend thin films and is now regarded as a key probe of surface and interfacial segregation in these systems. Segregation phenomena strongly impact blend properties such as adhesion, friction and weatherability. The strengths and limitations of the SIMS polymer profiling technique are described and contrasted with the complementary techniques of forward recoil elastic scattering (FRES) and neutron reflectivity (NR). The procedures developed for sample preparation and data acquisition are discussed. Experimental results for the effect of incident O2+ energy and angle on depth resolution and sputtering rate in polystyrene (PS) are presented. Ongoing SIMS studies of model blend systems are described: Segregation from dPS (deuterated)/PS blends to vacuum and Si interfaces is examined as a function of the molecular weight of the blend components and preparation of the Si substrate, revealing the importance of long range interactions. Similar behaviour in an acrylonitrile blend is demonstrated. The surface segregation profiles in the immiscible blend PBrS (polybromostyrene)/PS are discussed for samples annealed in the one and two phase regions. The conformation of carboxy terminated PS and dPS chains grafted to the Si oxide interface in a melt is studied as a function of grafting density, temperature, and matrix molecular weight. Diffusion of homopolymer dPS in a crosslinked PS matrix is examined and the observed diffusion coefficients are in good agreement with calculated values using rubber elasticity theory. Interdiffusion of PS/PS bilayer samples annealed above the glass transition temperature is studied. Trapped oxygen at the original bilayer interface is observed, indicating UV crosslinking of the individual film surfaces.

  15. Computational parametric study of a Richtmyer-Meshkov instability for an inclined interface

    NASA Astrophysics Data System (ADS)

    McFarland, Jacob A.; Greenough, Jeffrey A.; Ranjan, Devesh

    2011-08-01

    A computational study of the Richtmyer-Meshkov instability for an inclined interface is presented. The study covers experiments to be performed in the Texas A&M University inclined shock tube facility. Incident shock wave Mach numbers from 1.2 to 2.5, inclination angles from 30° to 60°, and gas pair Atwood numbers of ˜0.67 and ˜0.95 are used in this parametric study containing 15 unique combinations of these parameters. Qualitative results are examined through a time series of density plots for multiple combinations of these parameters, and the qualitative effects of each of the parameters are discussed. Pressure, density, and vorticity fields are presented in animations available online to supplement the discussion of the qualitative results. These density plots show the evolution of two main regions in the flow field: a mixing region containing driver and test gas that is dominated by large vortical structures, and a more homogeneous region of unmixed fluid which can separate away from the mixing region in some cases. The interface mixing width is determined for various combinations of the parameters listed at the beginning of the Abstract. A scaling method for the mixing width is proposed using the interface geometry and wave velocities calculated using one-dimensional gas dynamic equations. This model uses the transmitted wave velocity for the characteristic velocity and an initial offset time based on the travel time of strong reflected waves. It is compared to an adapted Richtmyer impulsive model scaling and shown to scale the initial mixing width growth rate more effectively for fixed Atwood number.

  16. Study on Orbital Liquid Transport and Interface Behavior in Vane Tank

    NASA Astrophysics Data System (ADS)

    Kang, Qi; Rui, Wei

    2016-07-01

    Liquid propellant tank is used to supply gas free liquid for spacecraft as an important part of propulsion system. The liquid behavior dominated by surface tension in microgravity is obviously different with that on the ground, which put forward a new challenge to the liquid transport and relocation. The experiments which are investigated at drop tower in National Microgravity Lab have concentrated on liquid relocation following thruster firing. Considered that the liquid located at the bottom in the direction of the acceleration vector, a sphere scale vane tank is used to study the liquid-gas interface behaviors with different acceleration vector and different filling independently and we obtain a series of stable equilibrium interface and relocation time. We find that there is an obvious sedimentation in the direction of acceleration vector when fill rate greater than 2% fill. Suggestions have been put forward that outer vanes transferring liquid to the outlet should be fixed and small holes should be dogged at the vane close to the center post to improve the liquid flow between different vanes when B0 is greater than 2.5. The research about liquid transport alone ribbon vanes is simulated though software Flow3D. The simulation process is verified by comparing the liquid lip and vapor-liquid interface obtained from drop tower experiment and simulation result when fill rate is 15%. Then the influence of fill rate, numbers of vanes and the gap between vane and wall is studied through the same simulate process. Vanes' configurations are also changed to study the effect on the lip and liquid volume below some section. Some suggestions are put forward for the design of vanes.

  17. Computational parametric study of a Richtmyer-Meshkov instability for an inclined interface.

    PubMed

    McFarland, Jacob A; Greenough, Jeffrey A; Ranjan, Devesh

    2011-08-01

    A computational study of the Richtmyer-Meshkov instability for an inclined interface is presented. The study covers experiments to be performed in the Texas A&M University inclined shock tube facility. Incident shock wave Mach numbers from 1.2 to 2.5, inclination angles from 30° to 60°, and gas pair Atwood numbers of ∼0.67 and ∼0.95 are used in this parametric study containing 15 unique combinations of these parameters. Qualitative results are examined through a time series of density plots for multiple combinations of these parameters, and the qualitative effects of each of the parameters are discussed. Pressure, density, and vorticity fields are presented in animations available online to supplement the discussion of the qualitative results. These density plots show the evolution of two main regions in the flow field: a mixing region containing driver and test gas that is dominated by large vortical structures, and a more homogeneous region of unmixed fluid which can separate away from the mixing region in some cases. The interface mixing width is determined for various combinations of the parameters listed at the beginning of the Abstract. A scaling method for the mixing width is proposed using the interface geometry and wave velocities calculated using one-dimensional gas dynamic equations. This model uses the transmitted wave velocity for the characteristic velocity and an initial offset time based on the travel time of strong reflected waves. It is compared to an adapted Richtmyer impulsive model scaling and shown to scale the initial mixing width growth rate more effectively for fixed Atwood number.

  18. Resonant photoemission study of the 4f spectral function of cerium in Ce/Fe(100) interfaces

    SciTech Connect

    Witkowski, N.; Bertran, F.; Gourieux, T.; Kierren, B.; Malterre, D.; Panaccione, G. |

    1997-11-01

    In this paper, we present a resonant photoemission study of the cerium 4f spectral function in Ce/Fe(100) interfaces. By covering cerium ultrathin films with lanthanum, we completely suppress the surface contribution of the spectra. Then we show that the cerium atoms at the interface are in an intermediate valent state, whereas the f{sup 1} configuration is stabilized in the top layer. This method allows us to obtain the genuine 4f spectral function of the interface, and could be extended to a study of Ce-based compounds. {copyright} {ital 1997} {ital The American Physical Society}

  19. Interfacial Effects on the Thermal and Mechanical Properties of Graphite/Copper Composites. Final Contractor Report Ph.D. Thesis

    NASA Technical Reports Server (NTRS)

    Devincent, Sandra Marie

    1995-01-01

    Graphite surfaces are not wet by pure copper. This lack of wetting has been responsible for a debonding phenomenon that has been found in continuous graphite fiber reinforced copper matrix composites subjected to elevated temperatures. By suitably alloying copper, its ability to wet graphite surfaces can be enhanced. Information obtained during sessile drop testing has led to the development of a copper-chromium alloy that suitably wets graphite. Unidirectionally reinforced graphite/copper composites have been fabricated using a pressure infiltration casting procedure. P100 pitch-based fibers have been used to reinforce copper and copper-chromium alloys. X-ray radiography and optical microscopy have been used to assess the fiber distribution in the cast composites. Scanning electron microscopy and Auger electron spectroscopy analyses were conducted to study the distribution and continuity of the chromium carbide reaction phase that forms at the fiber/matrix interface in the alloyed matrix composites. The effects of the chromium in the copper matrix on the mechanical and thermal properties of P100Gr/Cu composites have been evaluated through tensile testing, three-point bend testing, thermal cycling and thermal conductivity calculations. The addition of chromium has resulted in an increased shear modulus and essentially zero thermal expansion in the P100Gr/Cu-xCr composites through enhanced fiber/matrix bonding. The composites have longitudinal tensile strengths in excess of 700 MPa with elastic moduli of 393 GPa. After 100 hr at 760 deg C 84 percent of the as-cast strength is retained in the alloyed matrix composites. The elastic moduli are unchanged by the thermal exposure. It has been found that problems with spreading of the fiber tows strongly affect the long transverse tensile properties and the short transverse thermal conductivity of the P100Gr/Cu-xCr composites. The long transverse tensile strength is limited by rows of touching fibers which are paths of

  20. Simulation of water cluster assembly on a graphite surface.

    PubMed

    Lin, C S; Zhang, R Q; Lee, S T; Elstner, M; Frauenheim, Th; Wan, L J

    2005-07-28

    The assembly of small water clusters (H2O)n, n = 1-6, on a graphite surface is studied using a density functional tight-binding method complemented with an empirical van der Waals force correction, with confirmation using second-order Møller-Plesset perturbation theory. It is shown that the optimized geometry of the water hexamer may change its original structure to an isoenergy one when interacting with a graphite surface in some specific orientation, while the smaller water cluster will maintain its cyclic or linear configurations (for the water dimer). The binding energy of water clusters interacting with graphite is dependent on the number of water molecules that form hydrogen bonds, but is independent of the water cluster size. These physically adsorbed water clusters show little change in their IR peak position and leave an almost perfect graphite surface.

  1. Mechanism and modulation of terahertz generation from a semimetal - graphite

    NASA Astrophysics Data System (ADS)

    Ye, Tong; Meng, Sheng; Zhang, Jin; E, Yiwen; Yang, Yuping; Liu, Wuming; Yin, Yan; Wang, Li

    2016-03-01

    Semi-metals might offer a stronger interaction and a better confinement for terahertz wave than semiconductors, while preserve tunability. Particularly, graphene-based materials are envisioned as terahertz modulators, filters and ultra-broadband sources. However, the understanding of terahertz generation from those materials is still not clear, thus limits us recognizing the potential and improving device performances. Graphite, the mother material of graphene and a typical bulk semi-metal, is a good system to study semi-metals and graphene-based materials. Here we experimentally modulate and maximize the terahertz signal from graphite surface, thus reveal the mechanism - surface field driving photon induced carriers into transient current to radiate terahertz wave. We also discuss the differences between graphite and semiconductors; particularly graphite shows very weak temperature dependency from room temperature to 80 °C. Above knowledge will help us understand terahertz generations, achieve maximum output and electric modulation, in semi-metal or graphene based devices.

  2. Graphene-graphite oxide field-effect transistors.

    PubMed

    Standley, Brian; Mendez, Anthony; Schmidgall, Emma; Bockrath, Marc

    2012-03-14

    Graphene's high mobility and two-dimensional nature make it an attractive material for field-effect transistors. Previous efforts in this area have used bulk gate dielectric materials such as SiO(2) or HfO(2). In contrast, we have studied the use of an ultrathin layered material, graphene's insulating analogue, graphite oxide. We have fabricated transistors comprising single or bilayer graphene channels, graphite oxide gate insulators, and metal top-gates. The graphite oxide layers show relatively minimal leakage at room temperature. The breakdown electric field of graphite oxide was found to be comparable to SiO(2), typically ~1-3 × 10(8) V/m, while its dielectric constant is slightly higher, κ ≈ 4.3.

  3. Powder properties of hydrogenated ball-milled graphite

    SciTech Connect

    Zhang, Y.; Wedderburn, J.; Harris, R.; Book, D.

    2014-12-15

    Ball milling is an effective way of producing defective and nanostructured graphite. In this work, the hydrogen storage properties of graphite, ball-milled in a tungsten carbide milling pot under 3 bar hydrogen for various times (0–40 h), were investigated by TGA-Mass Spectrometry, XRD, SEM and laser diffraction particle size analysis. For the conditions used in this study, 10 h is the optimum milling time resulting in desorption of 5.5 wt% hydrogen upon heating under argon to 990 °C. After milling for 40 h, the graphite became significantly more disordered, and the amount of desorbed hydrogen decreased. After milling up to 10 h, the BET surface area increased while particle size decreased; however, there is no apparent correlation between these parameters, and the hydrogen storage properties of the hydrogenated ball-milled graphite.

  4. Impact of Participatory Design for Drug-Drug Interaction Alerts. A Comparison Study Between Two Interfaces.

    PubMed

    Luna, Daniel; Otero, Carlos; Risk, Marcelo; Stanziola, Enrique; González Bernaldo de Quirós, Fernán

    2016-01-01

    Decision support systems for alert drug-drug interactions have been shown as valid strategy to reduce medical error. Even so the use of these systems has not been as expected, probably due to the lack of a suitable design. This study compares two interfaces, one of them developed using participatory design techniques (based on user centered design processes). This work showed that the use of these techniques improves satisfaction, effectiveness and efficiency in an alert system for drug-drug interactions, a fact that was evident in specific situations such as the decrease of errors to meet the specified task, the time, the workload optimization and users overall satisfaction with the system.

  5. In situ analytical electron microscopy studies of redox reactions at a YSZ/Pt interface.

    PubMed

    Tavabi, Amir Hossein; Arai, Shigeo; Tanji, Takayoshi

    2012-06-01

    Redox reactions were studied at a single yttria-stabilized zirconia (YSZ)/Pt electrode interface, in parallel with pure YSZ with no catalyst electrode, by in situ analytical electron microscopy at elevated temperatures and in an oxygen atmosphere. In situ electron holography showed that the oxide underwent reduction at elevated temperatures in a vacuum and was consequently reoxidized upon exposure to an oxygen flux at the same temperature. In situ energy loss spectroscopy measurements were in agreement with in situ electron holography observations and indicated that the oxidation state of the host cation zirconium was altered in the reduced state of the YSZ to the metastable state Zr(3+).

  6. First-principles study of point defects at a semicoherent interface

    SciTech Connect

    Metsanurk, E.; Tamm, A.; Caro, A.; Aabloo, A.; Klintenberg, M.

    2014-12-19

    Most of the atomistic modeling of semicoherent metal-metal interfaces has so far been based on the use of semiempirical interatomic potentials. Here, we show that key conclusions drawn from previous studies are in contradiction with more precise ab-initio calculations. In particular we find that single point defects do not delocalize, but remain compact near the interfacial plane in Cu-Nb multilayers. Lastly, we give a simple qualitative explanation for this difference on the basis of the well known limited transferability of empirical potentials.

  7. Mechanical properties of the interface structure of nanodiamond composite films: First-principles studies

    NASA Astrophysics Data System (ADS)

    Zhang, Suhui; Liu, Xuejie; Jiang, Yongjun; Ren, Yuan; Li, Suozhi

    2016-02-01

    The elastic properties of the interface structure of nanodiamond composite films are investigated using first-principles calculations. The nanodiamond grains in the films are surrounded by a monolayer heterogeneous interface. The interface phase comprises B, Si, P, and Ge. The elastic constants, bulk, shear and Young's modulus of the interface structures are all obtained with first principle calculations. Calculated elastic constants of the diamond (0 0 1) interface are larger than those of the (1 1 1) interface. For the B, Si, P, and Ge interface structures, as the average atomic distance increases, the average Young's modulus decrease, which follows the sequence EbarB>EbarSi >EbarP > EbarGe , with corresponding values of 927.05, 843.841, 840.152, and 819.805 GPa. The ductility and plasticity, as well as the anisotropy values (A and AU) of the interface structures were discussed based on the obtained mechanical parameters. The results show that P interface structures demonstrate ductile property when stressed longitudinally, whereas the other interface structures are all brittle. Then the visualization of the directional dependence of the Young's modulus are also presented. These reflected an interesting results. For the B, Si, and Ge interface structures, whether they show isotropy or anisotropy depends on the crystal structure, while it depends on the direction of the applied strain for the P interface structures.

  8. A versatile instrument for structural studies of interfaces in ultrahigh vacuum (abstract)

    NASA Astrophysics Data System (ADS)

    Clausnitzer, M.; Pauly, T.; Materlik, G.

    1989-07-01

    Structural studies of interfaces with synchrotron x-radiation (SXR) are presently carried out with several different methods which were developed in connection with SXR over the past decade: dynamical x-ray diffraction using standing wavefields (XSW), kinematical surface diffraction (KSD), Fresnel reflection (FR), and absorption spectroscopy (SEXAFS, SXANES). These methods can determine different, and often complementary parameters of a system such as short-/long-range order, relaxation relative to bulk, structure normal/parallel to surface, valence state of surface atoms, roughness of a buried interface, etc. Accordingly, these different principles have also been combined to form new methods such as diffraction of evanescent x rays during total external reflection (DEXTER) and reflection EXAFS (REFLEXAFS). It is, therefore, highly desirable to have the opportunity to study the same interface system with different methods. On the other hand, preparation of a system in ultrahigh vacuum requires in most cases expensive bulky equipment and time consuming techniques. These considerations call for a setup which provides different experimental options. We have, therefore, installed at the beamline ROEMO I at HASYLAB a versatile UHV system for interface studies. A sample can either be prepared inside a chamber with three Knudsen cells for MBE growth and standard equipment for cleaning, heating and surface characterization by RHEED, or inside a chamber for aggressive gases. The first one is installed outside the interlock area providing access also when the ROEMO beam is on and the second one inside the interlock area. From either chamber the sample can be transferred into an analysis chamber at the ROEMO I station or into a transportable baby chamber. The analysis chamber can be used for measurements with standing waves, absorption spectroscopy and reflectivity measurements. Electrons are detected with a spherical analyzer and photons outside the vacuum through Be windows

  9. Latent laser-induced graphitization of diamond

    NASA Astrophysics Data System (ADS)

    Kononenko, V. V.; Gololobov, V. M.; Konov, V. I.

    2016-03-01

    Basic features and mechanism of femtosecond laser graphitization of diamond surface were studied in the two regimes of irradiation: (1) by an intensive (>10 J/cm2) single shot and (2) by a train of pulses with near-threshold intensity (~1-10 J/cm2). Special attention was paid to the so-called accumulative regime, when multipulse laser treatment results in prolonged delay of an appearance of crystal modification of the crystal. The light absorption mechanisms dominating in each regime are discussed. The experiments with fundamental (800 nm), second (400 nm) and third (266 nm) harmonics of Ti-sapphire laser (100 fs) have revealed that thermally stimulated processes play an essential role in latent diamond graphitization.

  10. A density functional study of silver clusters on a stepped graphite surface: formation of self-assembled nano-wires.

    PubMed

    Singh, Akansha; Sen, Prasenjit

    2015-05-21

    Adsorption and diffusion of silver adatoms and clusters containing up to eight atoms on an HOPG substrate with an armchair step are studied using density functional methods. Step edges act as attractive sinks for adatoms and clusters. The diffusion barrier of an Ag adatom along the step edge is much larger than that on a clean terrace. At zero temperature, Ag clusters either distort or dissociate by forming covalent bonds with the edge C atoms. At 600 K, Ag5 and Ag8 clusters diffuse to the step edges, and then break up so as to maximize Ag-C bonds. The Ag atoms try to form a nanowire structure along the step edge. At such high temperatures, diffusion of clusters along the step edge involves diffusion of individual Ag atoms not bonded to the edge C atoms. Assumption of complete immobility of clusters trapped at step edges in the Gates-Robins model is not valid at high temperatures in this particular system. PMID:25903308

  11. Slurry sampling graphite furnace atomic absorption spectrometry: a preliminary examination of results from an international collaborative study

    NASA Astrophysics Data System (ADS)

    Miller-Ihli, N. J.

    1995-06-01

    An international collaborative study was initiated to evaluate the current state-of-the-art for solid sampling. Samples were sent to 28 laboratories and data were received from 18 collaborators, 16 of which reported slurry results. A preliminary check of performance using NIST SRM 1643c acidified water, showed that at least 13 laboratories were able to provide accurate results within ±10% of the mean certified Pb and Cr concentrations. The focus of this work was slurry analytical data reported by collaborators. Average performance by collaborators for the determination of Pb in NIST SRM 2704 Buffalo River Sediment was 103% recovery based on the mean certified reference value and was 84% recovery based on the mean certified reference value for NRCC PACS-1, a marine estuarine sediment, which was identified to collaborators as an unknown sediment. Average performance by collaborators for Cr in SRM 2704 was 96% based on the mean certified reference value and was 78% recovery based on the mean certified reference value for PACS-1. The use of secondary wavelengths and the importance of analysis of a representative subsample are highlighted. Possible problems leading to inaccurate results being reported by collaborators are discussed including the use of mini-flows, matrix modifiers, low atomization temperatures, short atomization times, and expulsion losses.

  12. A mechanistic study of hydrogen spillover in MoO(3) and carbon-based graphitic materials.

    PubMed

    Chen, Liang; Pez, Guido; Cooper, Alan C; Cheng, Hansong

    2008-02-13

    We present a systematic study of the mechanisms of the hydrogen spillover process from a Pt(6) cluster onto a well-known hydrogen bronze material, MoO(3), and several carbon-based materials, including a graphene sheet and single walled carbon nanotubes, using density functional theory (DFT). We show that initially hydrogen undergoes a sequential dissociative chemisorption upon interacting with the Pt(6) cluster. The threshold desorption energy of H atoms was identified. We then mapped out the energetics required for hydrogen atoms to flow onto the surfaces of the selected materials in the vicinity of the subnanometer Pt(6) particle and to diffuse to other sites of the substrates. Our results indicate that while the spillover of H atoms onto the MoO(3) lattice can be greatly facilitated by the abundant H-bonding network, the process becomes energetically difficult on carbon-based materials via chemisorption since it requires C-H bond breaking. Spillover in the selected carbon-based materials could only become possible if 'cold' H atoms could come out of the saturated catalyst. PMID:21693885

  13. A first-principles study on interaction of Mg/Ni interface and its hydrogen absorption characteristics

    NASA Astrophysics Data System (ADS)

    Chen, Yuying; Dai, Jianhong; Xie, Ruiwen; Song, Yan

    2016-07-01

    We have investigated the interaction of Mg/Ni interface and its hydrogen adsorption characteristics using first-principles calculations to obtain a better understanding of the Mg/Ni interface as a hydrogen storage material. The smallest work of adhesion of Mg/Ni interface is 4.28 J/m2 with AB stacking sequence in the studied systems. Hydrogen adsorption energy and electronic structures were evaluated to study the interaction characteristics between hydrogen and Mg/Ni interface. The hydrogen adsorption is energetically favored on all considered sites. The hydrogen atom prefers to adsorb on the tetrahedral site of the Ni side of the interface owning the lowest adsorption energy. The plane-averaged charge density and the density of states analysis indicate that the absorption of hydrogen could stabilize the Mg/Ni interface owing to the strongly bonding interactions between hydrogen atom and the host Mg and Ni atoms. Therefore, Mg/Ni interface provides a promising medium for hydrogen storage.

  14. Metal Interfaces with Cadmium Telluride and Zinc Telluride: a Photoemission Study.

    NASA Astrophysics Data System (ADS)

    Wahi, Anita Kumari

    How a metal overlayer grows and chemically interacts with II-VI semiconductor substrates such as CdTe and ZnTe has practical importance for the electrical characteristics of metal/II-VI contacts. Additionally, studying metal/II -VI interfaces gives insight into the role of weak Hg-bonding in HgCdTe and HgZnTe during metal contact formation, where severe Hg depletion from the HgCdTe surface is typically observed upon metal deposition. This work describes a comparative study of interfacial chemistry and band bending behavior for Al, In, Ag, and Pt overlayers on vacuum-cleaved p-CdTe and p-ZnTe (110) using UPS and XPS. A range of metal-substrate reactivities is considered: Al reacts strongly with Te, Ag moderately, and In minimally, with no evidence seen for In reaction on ZnTe. Pt exhibits strong alloying behavior with both Cd and Zn. Results for the binaries are compared to metal/HgCdTe interface formation. It is found that Hg loss can significantly influence the extent of reaction and/or intermixing for these overlayers relative to the binaries, with stronger reaction seen for Al on the binaries. CdTe and ZnTe band bending behavior is examined, in order to correlate Fermi level movement in the bandgap with interfacial chemistry and morphology. All four metals yield Schottky barriers on CdTe and ZnTe, with a narrow range of final Fermi level positions, E_ {fi} = E_{f} -E_{rm VBM}, observed on CdTe, from 0.9 to 1.05 +/- 0.1 eV, and on ZnTe from 0.65 to 1.0 +/- 0.1 eV. The prediction of the metal-induced gap states (MIGS) model that a difference in barrier height exists for two semiconductors dependent upon their valence band offset is examined and agrees with experiment for Ag, Pt and Al, but not for In. For the highly reactive Al, no evidence for the overlayer metallicity required for MIGS to operate is seen until after band bending has stabilized. Reaction and intermixing for Al, Ag, and Pt overlayers on CdTe and ZnTe indicate these interfaces are not ideal. The

  15. Interface Effects in Sunlight-Driven Ag/g-C3N4 Composite Catalysts: Study of the Toluene Photodegradation Quantum Efficiency.

    PubMed

    Fontelles-Carceller, Olga; Muñoz-Batista, Mario J; Fernández-García, Marcos; Kubacka, Anna

    2016-02-01

    Metallic silver (ranging from 1 to 10 wt %) was deposited onto a graphite-like carbon nitride photocatalyst through a microemultion method. Surface, morphological, and structural properties of the resulting materials were characterized using BET and porosity measurements, X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy, and UV-vis and photoluminescence spectroscopy. The activity of the composite samples under sunlight-type and visible illumination was measured for toluene photodegradation and was analyzed by means of the reaction rate and the quantum efficiency parameter. To obtain the latter observable, the lamp emission properties as well as the radiation field interaction with the catalyst inside the reactor were modeled and numerically calculated. The stability of the samples under both illumination conditions was also studied. The results evidence that the composite samples containing 1-10 silver wt % outperform carbon nitride for sunlight-type and visible illumination, but the optimal use of the charge generated after light absorption is obtained for the sample with 1 wt % of silver acording to the quantum efficiency calculation. The study shows that the optimum silver-g-C3N4 contact is able to outperform TiO2 reference systems (nano-TiO2 and P25) under sunlight illumination and points out that this occurs as a direct consequence of the charge handling through the interface between catalyst components. This indicates that composite systems based on g-C3N4 can be competitive in sunlight-triggered photodegradation processes to eliminate tough polluctants such as toluene, rendering active and stable systems.

  16. Interface Effects in Sunlight-Driven Ag/g-C3N4 Composite Catalysts: Study of the Toluene Photodegradation Quantum Efficiency.

    PubMed

    Fontelles-Carceller, Olga; Muñoz-Batista, Mario J; Fernández-García, Marcos; Kubacka, Anna

    2016-02-01

    Metallic silver (ranging from 1 to 10 wt %) was deposited onto a graphite-like carbon nitride photocatalyst through a microemultion method. Surface, morphological, and structural properties of the resulting materials were characterized using BET and porosity measurements, X-ray diffraction, X-ray photoelectron spectroscopy, transmission electron microscopy, and UV-vis and photoluminescence spectroscopy. The activity of the composite samples under sunlight-type and visible illumination was measured for toluene photodegradation and was analyzed by means of the reaction rate and the quantum efficiency parameter. To obtain the latter observable, the lamp emission properties as well as the radiation field interaction with the catalyst inside the reactor were modeled and numerically calculated. The stability of the samples under both illumination conditions was also studied. The results evidence that the composite samples containing 1-10 silver wt % outperform carbon nitride for sunlight-type and visible illumination, but the optimal use of the charge generated after light absorption is obtained for the sample with 1 wt % of silver acording to the quantum efficiency calculation. The study shows that the optimum silver-g-C3N4 contact is able to outperform TiO2 reference systems (nano-TiO2 and P25) under sunlight illumination and points out that this occurs as a direct consequence of the charge handling through the interface between catalyst components. This indicates that composite systems based on g-C3N4 can be competitive in sunlight-triggered photodegradation processes to eliminate tough polluctants such as toluene, rendering active and stable systems. PMID:26714203

  17. Negative Feedback for Small Capacitive Touchscreen Interfaces: A Usability Study for Data Entry Tasks.

    PubMed

    Parikh, S P; Esposito, J M

    2012-01-01

    Touchscreen technology has become pervasive in the consumer product arena over the last decade, offering some distinct advantages such as software reconfigurable interfaces and the removal of space consuming mice and keyboards. However, there are significant drawbacks to these devices that have limited their adoption by some users. Most notably, standard touchscreens demand the user's visual attention and require them to look at the input device to avoid pressing the wrong button. This issue is particularly important for mobile, capacitive sensing, nonstylus devices, such as the iPhone where small button sizes can generate high error rates. While previous work has shown the benefits of augmenting such interfaces with audio or vibrotactile feedback, only positive feedback (confirmation of button presses) has been considered. In this paper, we present a simple prototype interface that provides negative vibrotactile feedback. By negative, we mean feedback is generated when an inactive or ambiguous part of the screen, such as the area between two buttons, is touched. First, we present a usability study comparing positive and negative vibrotactile feedback for a benchmark numerical data entry task. The difference in performance is not statistically significant, implying negative feedback provides comparable benefits. Next, based on the experimenter's observations and the users comments, we introduce a multimodal feedback strategy-combining complementary positive audio and negative vibrotactile signals. User tests on a text entry experiment show that, with multimodal feedback, users exhibit a (statistically significant) 24 percent reduction in corrective key presses, as compared to positive audio feedback alone. Exit survey comments indicate that users favor multimodal feedback.

  18. A study of System Interface Sets (SIS) for the host, target and integration environments of the Space Station Program (SSP)

    NASA Technical Reports Server (NTRS)

    Mckay, Charles; Auty, David; Rogers, Kathy

    1987-01-01

    System interface sets (SIS) for large, complex, non-stop, distributed systems are examined. The SIS of the Space Station Program (SSP) was selected as the focus of this study because an appropriate virtual interface specification of the SIS is believed to have the most potential to free the project from four life cycle tyrannies which are rooted in a dependance on either a proprietary or particular instance of: operating systems, data management systems, communications systems, and instruction set architectures. The static perspective of the common Ada programming support environment interface set (CAIS) and the portable common execution environment (PCEE) activities are discussed. Also, the dynamic perspective of the PCEE is addressed.

  19. Tunneling of electrons via rotor-stator molecular interfaces: Combined ab initio and model study

    NASA Astrophysics Data System (ADS)

    Petreska, Irina; Ohanesjan, Vladimir; Pejov, Ljupčo; Kocarev, Ljupčo

    2016-07-01

    Tunneling of electrons through rotor-stator anthracene aldehyde molecular interfaces is studied with a combined ab initio and model approach. Molecular electronic structure calculated from first principles is utilized to model different shapes of tunneling barriers. Together with a rectangular barrier, we also consider a sinusoidal shape that captures the effects of the molecular internal structure more realistically. Quasiclassical approach with the Simmons' formula for current density is implemented. Special attention is paid on conformational dependence of the tunneling current. Our results confirm that the presence of the side aldehyde group enhances the interesting electronic properties of the pure anthracene molecule, making it a bistable system with geometry dependent transport properties. We also investigate the transition voltage and we show that conformation-dependent field emission could be observed in these molecular interfaces at realistically low voltages. The present study accompanies our previous work where we investigated the coherent transport via strongly coupled delocalized orbital by application of Non-equilibrium Green's Function Formalism.

  20. Ab initio study of the epitaxial ZrO2 /Si interface

    NASA Astrophysics Data System (ADS)

    Dogan, Mehmet; Kumah, Divine; Ahn, Charles; Walker, Frederick; Ismail-Beigi, Sohrab

    2015-03-01

    Growing thin films of crystalline metal oxides on semiconductors has been of much scientific interest because of the potential applications of such systems in electronic devices. One particular research goal is to achieve ferroelectricity in a crystalline and thin oxide film that is epitaxial on a semiconductor. This would enable one to realize non-volatile field-effect transistors where the state of the system is encoded in the polarization direction of the oxide. In this work, we study oxides that are not ferroelectric in the bulk but become ferroelectric as an ultrathin film on a semiconductor such as silicon. Recent developments in epitaxial growth methods also permit fabrication of such systems. Here, we use density functional theory to study the interface between ZrO2 and Si. When the oxide is only 1 monolayer thick, we find a set of stable structures with a variety of positive and negative out-of-plane ferroelectric polarizations. We present an analysis of these structures as a function of oxide thickness and the size of interface unit cell. Furthermore, the ZrO2 can be used as a buffer layer to induce ferroelectricity in ultrathin perovskite oxides such as SrTiO3 on Si which can couple the oxide polarization to the silicon carrier density. This work is supported by the National Science Foundation through Grant MRSEC NSF DMR-1119826.

  1. Experimental study of the minority-carrier transport at the polysilicon-monosilicon interface

    NASA Astrophysics Data System (ADS)

    Neugroschel, A.; Arienzo, M.; Isaac, R. D.; Komem, Y.

    1985-04-01

    This paper presents the results of an experimental study designed to explore both qualitatively and quantitatively the mechanism of the improved current gain in bipolar transistors with polysilicon emitter contacts. Polysilicon contacts were deposited and heat treated at different conditions. The electrical properties were measured using p-n junction test structures that are much more sensitive to the contact properties than are bipolar transistors. A simple phenomenological model was used to correlate the structural properties with electrical measurements. Possible transport mechanisms are examined and estimates are made about upper bounds on transport parameters in the principal regions of the devices. The main conclusion of this study is that the minority-carrier transport in the polycrystalline silicon is dominated by a highly disordered layer at the polysilicon-monosilicon interface characterized by very low minority-carrier mobility. The effective recombination velocity at the n(+) polysilicon-n(+) monosilicon interface was found to be a strong function of fabrication conditions. The results indicate that the recombination velocity can be much smaller than 10,000 cm/s.

  2. Effect of Reacting Surface Density on the Overall Graphite Oxidation Rate

    SciTech Connect

    Chang H. Oh; Eung Kim; Jong Lim; Richard Schultz; David Petti

    2009-05-01

    Graphite oxidation in an air-ingress accident is presently a very important issue for the reactor safety of the very high temperature gas cooled-reactor (VHTR), the concept of the next generation nuclear plant (NGNP) because of its potential problems such as mechanical degradation of the supporting graphite in the lower plenum of the VHTR might lead to core collapse if the countermeasure is taken carefully. The oxidation process of graphite has known to be affected by various factors, including temperature, pressure, oxygen concentration, types of graphite, graphite shape and size, flow distribution, etc. However, our recent study reveals that the internal pore characteristics play very important roles in the overall graphite oxidation rate. One of the main issues regarding graphite oxidation is the potential core collapse problem that may occur following the degradation of graphite mechanical strength. In analyzing this phenomenon, it is very important to understand the relationship between the degree of oxidization and strength degradation. In addition, the change of oxidation rate by graphite oxidation degree characterization by burn-off (ratio of the oxidized graphite density to the original density) should be quantified because graphite strength degradation is followed by graphite density decrease, which highly affects oxidation rates and patterns. Because the density change is proportional to the internal pore surface area, they should be quantified in advance. In order to understand the above issues, the following experiments were performed: (1)Experiment on the fracture of the oxidized graphite and validation of the previous correlations, (2) Experiment on the change of oxidation rate using graphite density and data collection, (3) Measure the BET surface area of the graphite. The experiments were performed using H451 (Great Lakes Carbon Corporation) and IG-110 (Toyo Tanso Co., Ltd) graphite. The reason for the use of those graphite materials is because

  3. Study of composite MWCNT/pyrolytic Cr interface by NEXAFS spectroscopy

    NASA Astrophysics Data System (ADS)

    Petrova, O. V.; Nekipelov, S. V.; Mingaleva, A. E.; Sivkov, V. N.; Obiedkov, A. M.; Kaverin, B. S.; Kremlev, K. V.; Ketkov, S. Yu; Gusev, S. A.; Vyalikh, D. V.; Molodtsov, S. L.

    2016-08-01

    A composite material based on MWCNT covered by pyrolytic Cr has been prepared by MOCVD growth technique using bis(arene)chromium compounds as the pyrolytic Cr source. Their structures and morphologies were preliminary studied by X-ray diffraction and scanning and scanning electron microscopy. The atomic and chemical composition of the interface, MWCNT surface and Cr-coating of the composite were studied by total electron yield mode in the range NEXAFS C1s - and Cr2p - absorption edge with use of synchrotron radiation of RGBL at BESSY-II. The study has shown that top layers of the MWCNT in composite have no essential destruction, the coating of the MWCNT surfaces is continuous and consists of Cr2O3. The chromium oxide adhesion is provided by chemical binding between the carbon atoms of the MWCNT top layer and the oxygen atoms of the coating.

  4. PCM/ graphite foam composite for thermal energy storage device

    NASA Astrophysics Data System (ADS)

    Guo, C. X.; Ma, X. L.; Yang, L.

    2015-07-01

    Numerical studies are proposed to predict and investigate the thermal characteristics of a thermal storage device consists of graphite foam matrix saturated with phase change material, PCM. The composite (graphite foam matrix saturated with PCM) is prepared by impregnation method under vacuum condition, and then is introduced into a cylindrical shell and tube device while it experiences its heat from an inner tube fluid. The two-dimensional numerical simulation is performed using the volume averaging technique; while the phases change process is modelled using the enthalpy porosity method. A series of numerical calculations have been done in order to analyze the influence of fluid operating conditions on the melting process of the paraffin/graphite foam. The results are given in terms of temperature or liquid fraction time history in paraffin/graphite foam composite, which show that the heat transfer rate of the device is effectively improved due to the high thermal conductivity of graphite foams. Therefore, paraffin/graphite foam composite can be considered as suitable candidates for latent heat thermal energy storage device.

  5. Comparison of the tribological properties of fluorinated cokes and graphites

    NASA Technical Reports Server (NTRS)

    Fusaro, Robert L.

    1988-01-01

    The friction, wear, endurance life, and surface morphology of rubbed (burnished) fluorinated graphite and fluorinated coke materials were studied. Two different coke powders, a graphitic carbon powder, and a graphite powder were fluorinated and then tribologically investigated. In addition, one of the coke powders was reduced in size before fluorinating to evaluate the effect of a finer particle size on the tribological properties. For comparison, graphite and coke powders which were not fluorinated were also tribologically evaluated. Elemental analysis by emission spectroscopy was performed on each sample to determine the impurity content and X-ray diffraction analysis was performed to determine the crystallinity. Coke was found to have very little lubricating ability, but fluorinated coke did possess good lubricating properties. However, the fluorinated graphite and fluorinated graphitic carbon (which gave equivalent results) gave superior results to those obtained with the fluorinated cokes. No tribological benefit was found for using small versus a larger particle size of coke, at least when evaluated as a rubbed film.

  6. Comparison of the tribological properties of fluorinated cokes and graphites

    NASA Technical Reports Server (NTRS)

    Fusaro, Robert L.

    1987-01-01

    The friction, wear, endurance life, and surface morphology of rubbed (burnished) fluorinated graphite and fluorinated coke materials were studied. Two different coke powders, a graphitic carbon powder, and a graphite powder were fluorinated and then tribologically investigated. In addition, one of the coke powders was reduced in size before fluorinating to evaluate the effect of a finer particle size on the tribological properties. For comparison, graphite and coke powders which were not fluorinated were also tribologically evaluated. Elemental analysis by emission spectroscopy was performed on each sample to determine the impurity content and X-ray diffraction analysis was performed to determine the crystallinity. Coke was found to have very little lubricating ability, but fluorinated coke did possess good lubricating properties. However, the fluorinated graphite and fluorinated graphitic carbon (which gave equivalent results) gave superior results to those obtained with the fluorinated cokes. No tribological benefit was found for using small versus a larger particle size of coke, at least when evaluated as a rubbed film.

  7. Graphite melting: atomistic kinetics bridges theory and experiment

    NASA Astrophysics Data System (ADS)

    Orekhov, Nikita; Stegailov, Vladimir

    2015-06-01

    Unique thermophysical properties of graphite result in its important role in science and engineering. However, the experimental data on graphite melting temperature (Tm) still remain controversial despite the long history of investigation. The experimental results of several works cover the wide span from 3800 to 5000 K that is an essentially larger uncertainty than the errors of individual experiments. In this work we deploy the molecular dynamics (MD) method and study the kinetics of graphite melting, concerning the aspects of defect formation, single graphene layer melting and the rates of spontaneous liquid nuclei formation. Our MD calculations show an unexpectedly weak kinetics of the melting front propagation in graphite that is several orders slower than that in metals. We demonstrate that at sufficiently high heating rates (higher than 105 - 106 K/s) the temperatures 500-1000 K above the graphite melting temperature can be reached before the crystal decay. It allows us to explain long-standing problem of the discrepancy in the experimental data making a hypothesis that there is a strong dependence between experimentally measured graphite melting temperatures and corresponding rates of heating.

  8. Electrical and thermal properties of graphite/polyaniline composites

    SciTech Connect

    Bourdo, Shawn E.; Warford, Brock A.; Viswanathan, Tito

    2012-12-15

    A composite of a carbon allotrope (graphite) and an inherently conducting polymer, polyaniline (PANI), has been prepared that exhibits an electrical conductivity greater than either of the two components. An almost 2-fold increase in the bulk conductivity occurs when only a small mass fraction of polyaniline exists in the composite (91% graphite/ 9% polyaniline, by mass). This increase in dc electrical conductivity is curious since in most cases a composite material will exhibit a conductivity somewhere between the two individual components, unless a modification to the electronic nature of the material occurs. In order to elucidate the fundamental electrical properties of the composite we have performed variable temperature conductivity measurements to better understand the nature of conduction in these materials. The results from these studies suggest a change in the mechanism of conduction as the amount of polyaniline is increased in the composite. Along with superior electrical properties, the composites exhibit an increase in thermal stability as compared to the graphite. - Graphical abstract: (Left) Room temperature electrical conductivity of G-PANI composites at different mass ratios. (Right) Electrical conductivity of G-PANI composites at temperatures from 5 K to 300 K. Highlights: Black-Right-Pointing-Pointer Composites of graphite and polyaniline have been synthesized with unique electrical and thermal properties. Black-Right-Pointing-Pointer Certain G-PANI composites are more conductive and more thermally stable than graphite alone. Black-Right-Pointing-Pointer G-PANI composites exhibit a larger conductivity ratio with respect to temperature than graphite alone.

  9. Electron oxidation of graphite by fluorospecies

    SciTech Connect

    Rosenthal, G.L.

    1984-09-01

    The fluoride-ion affinity (A/sub F/sup -//) of phosphorus pentafluoride was determined to be 100 kcal/mole from the heats of reaction of the Lewis bases SF/sub 4/ and ClO/sub 2/F with PF/sub 5/ near room temperature. The fluoride-ion affinity of boron trifluoride was determined to be 92 kcal/mole from the heat of reaction of ClO/sub 2/F with BF/sub 3/. The crystal structure of ClO/sub 2/BF/sub 4/ was determined and a precise lattice energy was calculated from this structure and used to determined A/sub F/sup -//. Both PF/sub 5/ and BF/sub 3/ were found to react with graphite in the presence of fluorine gas to yield a variety of non-stoichiometric compounds. The fluoride-ion affinity of silicon tetrafluoride is not known, but it does not react with graphite and F/sub 2/ except at high pressures. These and previous results suggested a threshold in oxidizing power of intercalating species below which the oxidative intercalation reaction would not occur. The reduction of C/sub x/PF/sub 6/ by PF/sub 3/ proved that the reaction is thermodynamically controlled to some extent. The displacement of PF/sub 5/ in C/sub x/PF/sub 6/ by BF/sub 3/ (with a smaller A/sub F/sup -//) suggested that two BF/sub 3/ molecules may have a larger fluoride-ion affinity than one PF/sub 5/ and that B/sub 2/F/sub 7//sup -/ may be a stable anion in graphite. Conductivity studies of PF/sub x/ and BF/sub y/ salts showed that a large drop in conductivity when the reaction reaches first stage is due in the most part to direct fluorination of carbon in graphite.

  10. Study of the roles of chemical modifiers in determining boron using graphite furnace atomic absorption spectrometry and optimization of the temperature profile during atomization.

    PubMed

    Yamamoto, Yuhei; Shirasaki, Toshihiro; Yonetani, Akira; Imai, Shoji

    2015-01-01

    The measurement conditions for determining boron using graphite furnace-atomic absorption spectrometry (GF-AAS) were investigated. Differences in the boron absorbance profiles were found using three different commercially available GF-AAS instruments when the graphite atomizers in them were not tuned. The boron absorbances found with and without adjusting the graphite atomizers suggested that achieving an adequate absorbance for the determination of boron requires a sharp temperature profile that overshoots the target temperature during the atomization process. Chemical modifiers that could improve the boron absorbance without the need for using coating agents were tested. Calcium carbonate improved the boron absorbance but did not suppress variability in the peak height. Improvement of boron absorbance was comparatively less using iron nitrate or copper nitrate than using calcium carbonate, but variability in the peak height was clearly suppressed using iron nitrate or copper nitrate. The limit of detection was 0.0026 mg L(-1) when iron nitrate was used. It appears that iron nitrate is a useful new chemical modifier for the quick and simple determination of boron using GF-AAS.

  11. Development of lead-free copper alloy-graphite casting. Annual report, January--December 1994

    SciTech Connect

    Rohatgi, P.K.

    1996-02-01

    Water model experiments were conducted to develop a two-stage stirring method for obtaining higher yields and a more uniform distribution of particles in copper alloys. This was followed by several melts for synthesis of copper-graphite alloys in which T1 was used as a wetting agent to improve the wettability of graphite in the copper melt. In the first stage, a vortex method was employed to facilitate the suction of graphite particles into the copper melt. In the second stage, the specially designed stirrer was used to avoid the formation of vortex in melt. The two stage stirring was found to considerably improve the recovery of graphite, over those obtained with the prior practice of single stage stirring. In addition, graphite recoveries increased with increasing Ti content. Flotation, fluidity, and directional solidification experiments were also conducted on copper-graphite alloys synthesized in this study. Tests showed that the spiral fluidity length of the yellow brass alloy increased with temperature and decreased with graphite. The fluidity of copper-graphite alloys investigated to date remained adequate to make a variety of castings. The observations of microstructure of directional solidification and flotation showed that in certain castings the graphite particles were agglomerated and they float to the upper part of the castings where they reduced the size of grains. However, in the agglomerated form, the graphite particles improved the machinability of copper alloys in a manner similar to lead. The result of the first years work provide an improved method of synthesis of lead free copper graphite alloys with improved machinability and adequate fluidity. Future work will continue to further improve the distribution of graphite particles in casting while retaining adequate fluidity and improved machinability. Techniques like centrifugal casting will be developed to concentrate graphite in regions where it is required for machinability in bearings.

  12. Superconducting graphite intercalation compounds with calcium

    NASA Astrophysics Data System (ADS)

    Emery, N.; Hérold, C.; Marêché, J.-F.; Lagrange, P.; Bellouard, C.; Lamura, G.; Di Gennaro, E.; Andreone, A.

    2008-04-01

    In the graphite-lithium-calcium system, four well-defined intercalation compounds were synthesised. Two of them, CaC 6 and Li 3Ca 2C 6, exhibit superconducting properties at 11.5 K and 11.15 K, respectively, the highest critical temperatures among those of graphite intercalation compounds. The samples are synthesised using a liquid-solid method allowing the preparation of pure bulk samples, auspicious for crystallographic and magnetic measurements. The crystal structure of CaC 6 was entirely specified; this compound crystallises in the R-3 m space group. The two-dimensional unit cell of Li 3Ca 2C 6 is hexagonal and commensurate with that of graphite and the intercalated sheets, very rich in metal, are seven-layered. The magnetic properties of these phases were studied with an applied field parallel and perpendicular to the graphene sheets. In both cases the magnetic phase diagram indicates that these compounds are type II superconducting materials slightly anisotropic in spite of their lamellar structure. In the case of CaC 6, in-plane magnetic penetration depth measurements show a clear exponential behaviour at low temperatures, consistent with an s-wave symmetry of the gap function, well fitted by the standard BCS theory in the dirty limit.

  13. Nondestructive Evaluation of Nuclear-Grade Graphite

    SciTech Connect

    Dennis C. Kunerth; Timothy R. McJunkin

    2011-07-01

    Nondestructive Evaluation of Nuclear Grade Graphite Dennis C. Kunerth and Timothy R. McJunkin Idaho National Laboratory Idaho Falls, ID, 83415 This paper discusses the nondestructive evaluation of nuclear grade graphite performed at the Idaho National Laboratory. Graphite is a composite material highly dependent on the base material and manufacturing methods. As a result, material variations are expected within individual billets as well billet to billet and lot to lot. Several methods of evaluating the material have been explored. Particular technologies each provide a subset of information about the material. This paper focuses on techniques that are applicable to in-service inspection of nuclear energy plant components. Eddy current examination of the available surfaces provides information on potential near surface structural defects and although limited, ultrasonics can be utilized in conventional volumetric inspection. Material condition (e.g. micro-cracking and porosity induced by radiation and stress) can be derived from backscatter or acousto-ultrasound (AU) methods. Novel approaches utilizing phased array ultrasonics have been attempted to expand the abilities of AU techniques. By combining variable placement of apertures, angle and depth of focus, the techniques provide the potential to obtain parameters at various depths in the material. Initial results of the study and possible procedures for application of the techniques are discussed.

  14. Study of Au/TiO2 interface structure using Energy Density Method

    NASA Astrophysics Data System (ADS)

    Yu, Min; Trinkle, Dallas R.; Martin, Richard M.

    2010-03-01

    We propose a way to decompose the total energy in a material into the contribution associated with each of the atoms, using the first principles energy density formalism[1]. Although the energy density function is non-unique up to a gauge transformation, we show that unique defect energies can be found by defining volumes for each atoms using the Bader charge analysis[2]. The methods are applied to gold nanoclusters supported on rutile titanium dioxide, which are commonly used as catalysts for chemical reactions. The variation in structure and chemistry of the interface may affect catalytic acticity. In this work, we study four model interfaces; Au(111)//TiO2(110) and Au(100)//TiO2(110), with and without bridging oxygen. Calculations are performed using the projector augmented wave method implemented in the Vienna ab initio simulation package[3], and the energy density method computes the interfacial energies to determine the equlibrium interfacial structure. [1]Phys. Rev. B 45, 6074 (1992) [2]Comput. Mater. Sci. 36, 254 (2006) [3]Phys. Rev. B 59, 1758 (1999)

  15. Fundamental measure density functional theory study of liquid-vapor interface of dipolar and quadrupolar fluids.

    PubMed

    Warshavsky, V B; Zeng, X C

    2013-10-01

    We have studied interfacial structure and properties of liquid-vapor interfaces of dipolar fluids and quadrupolar fluids, respectively, using the classical density functional theory (DFT). Towards this end, we employ the fundamental measure DFT for a reference hard-sphere (HS) part of free energy and the modified mean field approximation for the correlation function of dipolar or quadrupolar fluid. At low temperatures we find that both the liquid-vapor interfacial density profile and orientational order parameter profile exhibit weakly damped oscillatory decay into the bulk liquid. At high temperatures the decay of interfacial density and order parameter profiles is entirely monotonic. The scaled temperature τ = 1 - T/T(c) that separates the two qualitatively different interfacial structures is in the range 0.10-0.15. At a given (dimensionless) temperature, increasing the dipolar or quadrupolar moment enhances the density oscillations. Application of an electric field (normal to the interface) will damp the oscillations. Likewise, at the given temperature, increasing the strength of any multipolar moment also increases the surface tensions while increasing the strength of the applied electric field will reduce the surface tensions. The results are compared with those based on the local-density approximations (LDA) for the reference HS part of free energy as well as with results of numerical experiments.

  16. Ergonomics and usability of children interfaces: Spore®, the case study.

    PubMed

    Chammas, Adriana; Moraes, Anamaria de; Teixeira, Eduardo Ariel

    2012-01-01

    This study supports itself in ergonomic concepts and usability criteria by prioritizing the identification and correction of problems found during the interaction of children with projected interfaces for them and left from the cognitive, interactional and interfacial difficulties caused by the excesses of color, elements and animation in sites and games, between them the difficulty of recognition of the information during the interaction with the elements of grid of the interface. The results of the methodology had proven that 78.38% of the 37 children got so absorbed by the game and forgot to fulfill their tasks, at least partially, and that the application of the supported ergonomic beddings in usability criteria is imperative. It is relevant to point out that the projetual activity of the game is centered in the user, the child, whose behavior is distinct and particular. Points that had been disclosed that had passed unobserved by the involved adults in this project, and that they had displayed the unappropriateness of some screens of the Spore® to the etária band due to the ambiguity of the game, besides, the children had been sensible to the clarity in some screens and had passed for unnecessary situations of stress. PMID:22316855

  17. A novel tribological study on DLC-coated micro-dimpled orthopedics implant interface.

    PubMed

    Choudhury, Dipankar; Urban, Filip; Vrbka, Martin; Hartl, Martin; Krupka, Ivan

    2015-05-01

    This study investigates a tribological performance of diamond like carbon (DLC) coated micro dimpled prosthesis heads against ceramic cups in a novel pendulum hip joint simulator. The simulator enables determining friction coefficient and viscous effects of a concave shaped specimen interface (conformal contact). Two types of DLC such as hydrogenated amorphous carbon (a-C:H) and tetrahedral amorphous carbon (Ta-C) and one set of micro dimple (diameter of 300µm, depth of 70µm, and pitch of 900µm) were fabricated on metallic prosthesis heads. The experiment results reveal a significant friction coefficient reduction to the 'dimpled a-C:H/ceramic' prosthesis compared to a 'Metal (CoCr)/ceramic' prosthesis because of their improved material and surface properties and viscous effect. The post-experiment surface analysis displays that the dimpled a-C:H yielded a minor change in the surface roughness, and generated a larger sizes of wear debris (40-200nm sized, equivalent diameter), a size which could be certainly stored in the dimple, thus likely to reducing their possible third body abrasive wear rate. Thus, dimpled a:C-H can be used as a 'metal on ceramic hip joint interface', whereas the simulator can be utilized as an advanced bio-tribometer.

  18. Adsorption of cationic polyacrylamide at the cellulose-liquid interface: a neutron reflectometry study.

    PubMed

    Su, Jielong; Garvey, Christopher J; Holt, Stephen; Tabor, Rico F; Winther-Jensen, Bjorn; Batchelor, Warren; Garnier, Gil

    2015-06-15

    The layer thickness and density of high molecular weight cationic polyacrylamide (CPAM) adsorbed at the cellulose-water interface was quantified by neutron reflectometry. The thickness of a full monolayer of CPAM of constant molecular weight (13 MD) but different charge densities, adsorbed with or without NaCl (10(-3) M), was studied. Thin cellulose films (40±7 Å) of roughness <10 Å were produced by spin coating a cellulose acetate-acetone solution and regenerating by alkaline hydrolysis. Film smoothness was greatly improved by controlling the concentration of cellulose acetate (0.13 wt%) and the hydrolysis time in sodium methoxide. The adsorption thickness of CPAM (40% charge 13 MD) at the solid-D2O interface was 43±4 Å on cellulose and 13±2 Å on silicon, an order of magnitude smaller than the CPAM radius of gyration. At constant molecular weight, the thickness of the CPAM layer adsorbed on cellulose increases with polymer charge density (10±1 Å at 5%). Addition of 10(-3) M NaCl decreased the thickness of CPAM layer already adsorbed on cellulose. However, the adsorption layer on cellulose of a CPAM solution equilibrated in 10(-3) M NaCl is much thicker (89±11 Å for 40% CPAM). For high molecular weight CPAMs adsorbed from solution under constant conditions, the adsorption layer can be varied by 1 order of magnitude via control of the variables affecting electrostatic intra- and inter-polymer chain interactions.

  19. A comparative experimental study on structural and interface damping approaches for vibration suppression purposes

    NASA Astrophysics Data System (ADS)

    Liu, Yi; Sanchez, Alberto; Zogg, Markus; Ermanni, Paolo

    2010-04-01

    Dynamic loadings in automotive structures may lead to reduction of driving comfort and even to failure of the components. Damping treatments are applied in order to attenuate the vibrations and improve the long term fatigue behavior of the structures. This experimental study is targeting applications in floor panels that are mounted to the loadcarrying primary structure of the vehicle. The objective is to reach outstanding damping performance considering the stringent weight and cost requirement in the automotive industry. An experimental setup has been developed and validated for the determination of the damping properties of structural specimens also considering interface damping effects. This contribution is structured in three main parts: test rig design, experimental results and discussion. Reliable and easy-to-use devices for the characterization of the damping properties of specimens between 200×40 mm2 and 400×400 mm2 are not available "on the shelf". In this context, we present a flexible experimental set-up which has been realized to (1) support the development of novel damping solutions for multi-functional composite structures; (2) characterize the loss-factor of the different damping concepts, including boundary effects. A variety of novel passive and active damping treatments have been investigated including viscoelastic, coulomb, magnetorheological (MR), particle, magnetic and eddy current damping. The particle, interface as well as active damping systems show promising performance in comparison to the classical viscoelastic treatments.

  20. Study of Hydrophobic and Ionizable Hydrophilic Copolymers at Polymer/Solid and Polymer/Liquid Interfaces

    SciTech Connect

    Perahia, Dvora

    2011-11-01

    Joint experimental-computational efforts were set to characterize the interfacial effects on the structure and dynamics of polymers consisting of highly rigid hydrophilic-ionizable and hydrophobic sub-units within one polymeric chain casted into thin films of several molecular dimensions. Focusing on the ultra thin film region we separate out the interfacial effects from bulk characteristics. Specifically, the study sought to: identify the parameters that control the formation of a stable polymer-solid interface. The study consists of two components, experimental investigations and computational efforts. The experimental component was designed to derive empirical trends that can be used to correlate the set of coupled polymer molecular parameters with the interfacial characteristics of these polymers, and their response to presence of solvents. The computational study was designed to provide molecular insight into the ensemble averages provided by the experimental efforts on multiple length scales from molecular dimensions, to the nanometer lengths to a macroscopic understanding of solvent interactions with structured polymers. With the ultimate goal of correlating molecular parameters to structure, dynamics and properties of ionic polymers, the first stage of the research began with the study of two systems, one which allowed tailoring the flexibility of the backbone without the presence of ionic groups, but with a potential to sulfonate groups at a later stage, and a polymer whose backbone is rigid and the density of the ionic group can be varied. The combined experimental and computational studies significantly extended the understanding of polymers at interfaces from model systems to polydispersed copolymers with blocks of varying nature and complexity. This new insight directly affects the design of polymers for sustainable energy applications from batteries and fuel cells to solar energy.