bluuebunny/crossref_metadata_2025_split huggingface dataset:
Integration of Postclosure Safety Analysis with Repository Design for the Yucca Mountain Repository through the Selection of Design Control Parameters
Authors: Nieder-Westermann Gerald Hans , Spencer Robert H. , Andrews Robert W , Brown Neil 
Published: February 2009

AbstractThe Yucca Mountain repository combines multiple barriers, both natural and engineered, which work both individually and collectively to limit the movement of water and the potential release and movement of radionuclides to the accessible environment. Engineered structures, systems and components (SSCs) are designed to function in the natural environment utilizing materials chosen to perform their intended functions in order to meet the postclosure performance objectives. Similarly, the features of the natural environment are expected to respond to the presence of the repository through geomechanical, hydrogeologic and geochemical changes.
At Yucca Mountain, specific features, both engineered and natural have been identified as requiring design control during repository construction and operations. The integration between design and postclosure safety analysis is facilitated using design control parameters. The term “design control parameters” includes functions and performance requirements allocated to SSCs through the design process, as well as the attributes of SSCs that are developed during design (e.g., dimensions; weights; materials; fabrication and quality-control processes; and operating conditions). These control parameters provide an interface between the design and the analyzed postclosure safety bases, which needs to be maintained through the licensing process. Maintenance of the design is controlled through configuration management and procedural safety controls.
The design control parameters serve three key purposes. First, they identify key aspects of the design that serve as the design bases for the designers of the SSCs of the facility. Second, they provide a useful input to the analyses of relevant postclosure features, events and processes (FEPs) and are used to either exclude FEPs from the postclosure safety analysis or as an input to models of included FEPs in the safety analysis. Finally, they provide important controlled interface constraints between the design and safety analyses organizations that are amenable to configuration management.
Several examples of such design controls will be presented in this briefing. The first type of design controls relates to the location of the underground facility, including standoffs from faults and the ground surface. The second type of design controls relates to the configuration of the engineered features including the spacing of emplacement driftsand drip shield dimensions and characteristics. A third type of design controls relates to constraints on handling, loading and emplacing waste forms in canisters and waste packages in the emplacement drifts.
Iron Redox Reactions in Model Nuclear Waste Glasses and Melts
Authors: Cochain Benjamin , Neuville Daniel R. , Roux Jacques , Ligny Dominique De , Testemale Denis , Pinet Olivier , Richet Pascal 
Published: February 2009

AbstractThe influence of boron on the kinetics of oxidation of iron in silicate melts relevant to nuclear waste storage has been investigated by XANES experiments. The measurements have been performed isothermally as a function of time at the iron K-edge. The redox kinetics become slower with increasing B2O3 content either close to the glass transition range, where the redox kinetics are controlled by diffusion of network-modifying cations, or at superliquidus temperatures where oxygen diffusion is the rate-limiting factor. In both ranges the kinetics can be interpreted in terms of boron speciation and interaction with alkali cations. Below the liquidus, however, the long times needed to reach redox equilibrium allow sintering of the powders investigated to take place so that the resulting changes in sample geometry prevent determinations of oxidation kinetic parameters from being made.
Oxygen Lattice Distortions and U Oxidation State in UO2+x Fluorite Structures
Authors: Desgranges Lionel , Baldinozzi Gianguido 
Published: February 2009

AbstractThe structural changes induced by the changes of the uranium oxidation state in the ideal fluorite lattice of pure UO2 are discussed. Experimental results evidence strong distortions of the oxygen sub-lattice due to dynamic (at high temperature) or static (at low temperature) fluctuations of the local charges in the cationic sublattice. These changes in the oxidation state are often described using the Vegard’s law because a linear dependence of lattice parameter is observed over a wide range of compositions. Nevertheless, an ideal solid solution model cannot explain this behavior where the elastic effects are directly related to the ionic radii of the cations. Strong evidence is provided that enthalpy effects are relevant in these systems and that they are directly associated with the local structural changes observed during neutron scattering experiments.
Estimation of Ra Concentration in High-level Radioactive Waste Disposal System
Authors: Yoshida Yasushi , Yoshikawa Hideki 
Published: February 2009

AbstractConcentrations of Ra in groundwater was thought to be affected by substitution reactions with alkaline earth elements contained in a mineral, because the concentration of Ra is less than the solubility of known Ra containing phases. The substitution reaction was simulated using a partition coefficient. Calcite is a dominant mineral to react with Ra in a geological disposal system. However, previous identification of reactive layers of calcite or reversibility of the substitution reaction has not been confirmed. A re-distribution experiment was therefore undertaken and it was found that an estimated 21±13 layers near the surface were reactive and within them substitution equilibrium was achieved. Using these results, a model to estimate Ra concentration was established and adopted to analyze Ra migration. The effects of substitution of Ra and Ca were reasonably simulated.
Synthesis and Activity of Co-doped Barium Cerium Zirconate for Hydrogen Reforming and Purification
Authors: Suresh Aravind , Basu Joysurya , Sammes Nigel M , Carter Barry C , Wilhite Benjamin A 
Published: February 2009

AbstractBaCe0.25Zr0.60Co0.15O3-x (BCZC) was synthesized via oxalate co-precipitation route. Material was characterized by X-ray diffraction (XRD) and transmission electron microscopy (TEM). Catalytic activity of BCZC with respect to hydrogen generation via methanol partial oxidation was determined. Conductivity of the material at different temperatures and under different environments was determined by AC impedance spectroscopy. XRD and TEM results indicated that BCZC was synthesized as a homogeneous cubic phase material. Catalyst tests indicated that BCZC was catalytically active towards hydrogen generation and AC impedance results were positive enough to warrant further electrochemical studies.
Structure and Microstructure Study of Oxides of the La2/3-xLi3xTiO3-family
Authors: Amador Ulises , García-Martín Susana , Morata-Orrantia Ainhoa , Rodríguez-Carvajal Juan , Alario-Franco Miguel Ángel 
Published: February 2009

AbstractMaterials of the La2/3-xLi3xTiO3–family have been studied by selected area electron diffraction (SAED), high-resolution transmission electron microscopy (HRTEM), powder synchrotron X-ray diffraction and powder neutron diffraction. HRTEM showed that the materials have a complex domain-microstructure. The size and shape of the domains have been obtained from synchrotron X-ray diffraction data; besides, other extended defects such as strains and compositional fluctuations have been detected. The complementary use of local (SAED and HRTEM) and average (SXRD and NPD) techniques have allowed us to propose a model to refine the crystal structure of these oxides also accounting for their microstructure. All these materials have a perovskite-related structure with a diagonal unit cell (≈√2ap x √2ap x 2ap) as a consequence of the tilting of the TiO6 octahedra. Ordering of lanthanum and lithium ions and vacancies along the 2ap-axis, as well as displacements of titanium ions from the centre of the octahedra, have been determined. The Li+ ions present a distorted square planar coordination and are located in interstitial positions of the structure, which could explain the very high ionic conductivity of this type of materials. The lithium conductivity depends on the oxide composition and its crystal microstructure, which varies with the thermal treatment of the sample.
Unidirectional Solidification and Single Crystal Growth of Al-rich Ti-Al Alloys
Authors: Drevermann Anne , Schmitz Georg J. , Behr Günther , Schaberger-Zimmermann Elke , Guguschev Christo 
Published: February 2009

AbstractTo investigate the basic mechanical and thermomechanical properties of TiAl alloys with high Aluminium content sufficiently large single crystalline domains are required. To fabricate these samples undirectional solidification in Bridgman Stockbarger furnaces and optical floating zone devices were used. Focus of investigation were grain selection and impurity contamination. Both processes allow for growth of single crystal domains of some millimetres diameter and a few centimetres length. However in a Bridgman Stockbarger furnace the long contact times with the crucible proved detrimental to oxidation issues whereas in the optical floating zone device oxidation is negligible due to containerless processing.
Development of G4 TiAl Alloys by Spark Plasma Sintering
Authors: Jabbar Houria , Monchoux Jean-Philippe , Thomas Marc , Couret Alain 
Published: February 2009

AbstractG4 alloys (Ti51Al47Re1W1Si0.2) are developed by Spark Plasma Sintering (SPS) with the aim to improve the creep resistance of SPS materials. The microstructure is analyzed by Scanning and Transmission Electron Microscopies (SEM and TEM). The mechanical properties at low and high temperatures are measured. The addition of heavy elements does not lead to an improvement of the mechanical strength.
Observation of <2c+a> Dislocation Glide in Duplex Ti-48at.% Al after Room Temperature Tensile Deformation
Authors: Wiezorek Jörg M. K. , Kulovits Andreas K. 
Published: February 2009

AbstractIn this study we investigated the deformation behavior of the hexagonal ordered phase α2- Ti3Al in Duplex TiAl under tensile loading. Transmission electron microscopy (TEM) revealed that the orientation relation ships (OR) between α2-Ti3Al and the L10 ordered γ- TiAl phase are very different as compared to the OR common in fully lamellar PST TiAl. We observed deformation related <2c+a> dislocation activity on pyramidal slip systems in the α2-phase during post situ TEM analyses. We rationalize this observation by the possible build up of pile up stresses in γ-TiAl due to the different OR with the α2-Ti3Al phase that can possibly lead to the activation of <2c+a> dislocation activity on pyramidal slip systems with similarly resolved stresses in the α2-Ti3Al phase.
Intermetallic Bond Coats: Systems Compatibility and Platinum-Group Metal Additions
Authors: Pollock Tresa , Widrevitz Dan , Pong Russell , Cao Fang , Tryon Bryan 
Published: February 2009

AbstractIntermetallic interlayers are key to the performance of thermal barrier coating systems. The role of platinum group metal (PGM) additions to B2 bond coat interlayers has been investigated with emphasis on diffusional aspects of coating structure evolution and properties. Additions of Ru and Ir to NiAl reduce interdiffusion and the resultant thickness of the coating and interdiffusion zone. Relative to Pt and Pd, Ru and Ir slow diffusion. Ru additions to NiAl increase creep resistance but degrade oxidation kinetics.
Structure and Disorder of the Laves Phases in the Co-Nb System
Authors: Kreiner Guido Michael , Grüner Daniel , Grin Yuri , Stein Frank , Palm Martin , Ormeci Alim 
Published: February 2009

AbstractA special feature of the Co-Nb system is the occurrence of the three different types of Laves phase with the ideal composition NbCo2. The C36 and the C14 phases are stable only at high temperatures and exhibit small homogeneity ranges, whereas the C15 phase forms with a broad homogeneity range enclosing the ideal composition. In case of C36 and Co-rich C15 the additional Co atoms substitute Nb atoms (Nb1-xCox)Co2.In the C36 phase the Co atoms preferentially occupy one of the two crystallographic Nb sites and are locally displaced by approx. 20 pm from the original Nb positions allowing the formation of favorable short Nb-Co bonds. In Nb-rich C14 only one of two crystallographic sites is occupied by Nb. The Kagomé layers of the Co atoms are distorted in the crystal structures of the hexagonal Laves phases. The deviation from the idealized crystal structure is mainly governed by the valence electron concentration. Quantum mechanical calculations show that the distortion is already an inherent feature of the point defect-free structures.
Comparing Ion Distributions around RNA and DNA Helical and Loop-loop Motifs
Authors: Semichaevsky Andrey V , Marlowe Ashley E , Yingling Yaroslava G 
Published: February 2009

AbstractNucleic acid nanoparticles can self-assembly through the formation of complementary loop-loop interactions or stem-stem interactions. Presence and concentration of ions can significantly affect the self-assembly process and the stability of the nanostructure. In this paper we use explicit molecular dynamics simulations to examine the variations in cationic distributions around DNA and RNA helices and loop-loop interactions with identical sequence except for Thymine to Uracil substitution. Our simulations show that the ionic distributions are different around RNA and DNA motifs which could be related to the discrepancy in stability of loop-loop complexes.
Multiscale Computer Simulation of Tensile Failure in Polymer-Coated Silica Aerogels
Authors: Good Brian 
Published: February 2009

AbstractThe low thermal conductivities of silica aerogels have made them of interest to the aerospace community for applications such as cryotank insulation. Recent advances in the application of conformal polymer coatings to these gels have made them significantly stronger, and potentially useful as lightweight materials for impact absorption as well. In this work, we perform multiscale computer simulations to investigate the tensile strength and failure behavior of silica and polymer-coated silica aerogels. The gels' nanostructure is simulated via a Diffusion Limited Cluster Aggregation (DLCA) procedure. The procedure produces fractal aggregates that exhibit fractal dimensions similar to those observed in real aerogels. The largest distinct feature of the clusters is the so-called secondary particle, typically tens of nm in diameter, which is composed of primary particles of amorphous silica an order of magnitude smaller. The secondary particles are connected by amorphous silica bridges that are typically smaller in diameter than the particles they connect. We investigate tensile failure via the application of a uniaxial tensile strain to the DLCA clusters. In computing the energetics of tensile strain, the detailed structure of the secondary particles is ignored, and the interaction among secondary particles is described by Morse pair potentials, representing the strain energetics of the silica gel and the polymer coating, parameterized such that the potential ranges are much smaller than the secondary particle size. The Morse parameters are obtained by separate atomistic simulation of models of the interparticle bridges and polymer coatings, with the tensile behavior of these bridges modeled via molecular statics. We consider the energetics of tensile strain and tensile failure, and compare qualitative features of low-and high-density gel failure.
Lateral migration and segregation of vesicles with viscosity contrast in simple shear and Poiseuille flows
Authors: Coupier Gwennou , Callens Natacha , Kaoui Badr , Minetti Christophe , Dubois Frank , Misbah Chaouqi , Podgorski Thomas 
Published: February 2009

ABSTRACTLateral migration of vesicles (closed lipidic membranes) in a flow is characterized as a function of the relevant flow parameters and mechanical properties of the vesicles. We consider low Reynolds number flows, and migration is only due to viscous effects. Through experiments and simulations, we exhibit two different origins for such cross streamline migration: the presence of a wall, and a non1constant shear rate, as for instance in a Poiseuille flow. Such migration modifies the distribution of vesicles in a sheared polydisperse suspension; we present preliminary results proving that the hydrodynamic interactions between vesicles greatly modify the distribution of vesicles according to their sizes and deflation.
MEH-PPV Based Blue-light Dosimeter for Hyperbilirubinemia Treatment
Authors: da Silva Autreto Pedro Alves , Vasconcelos Claudia K , Flores Marcelo Z S , Galvao Douglas S , Bianchi Rodrigo R 
Published: February 2009

Abstract
In this work, we have theoretically investigated a model for the poly(2-methoxy-5(2'- ethylhexyloxy)-p-phenylenevinylene) (MEH-PPV) photodegradation based on structural models for MEH-PPV oligomers in vacuum and in solvent (chloroform). We investigated how the incorporation of oxygen and breaking of vinyl double bonds affect the absorption spectra. The theoretical results are in excellent agreement with the experimental data if we assume that the incorporation of carbonyl group is the main mechanism associated with the photodegradation processes.
DC and AC Measurements of Magnetite Nanoparticulates and Implications for Nonlinear Response
Authors: Liong Silvia , Moore Ricky Lamar 
Published: February 2009

AbstractThis paper discusses preparation, characterization and measurement of linear DC and AC magnetic properties of magnetite (Fe3O4) nanoparticles (size ranges of 7-50 nm and 5 microns) and polymer composites of those particulates. Selected data and analysis are taken from the PhD thesis of Liong [1]. The goal of this research is to obtain magnetic data, specifically magnetization, anisotropy and coercivity as functions of particle size. These will be used as inputs to non linear magnetic simulations and in planning for future nonlinear magnetic measurements. Magnetite nanoparticles were synthesized by chemical coprecipitation, a method that allowed for the production of samples in gram quantities. Vibrating sample magnetometry was used to measure the room-temperature DC magnetization and coercivity of the particulates. Coaxial line impedance measurements were used to measure low frequency and dispersive AC permeability of Fe3O4–polymer composites from 1 Megahertz to 10 Gigahertz. AC data are applied to infer particulate magnetic susceptibility and anisotropy field change with particle size. Particle size was calculated from XTD data and supported by TEM images.Measured DC saturation magnetization and coercivity decreased with particle dimension while anisotropy was calculated to increase. Magnetization data are consistent with models that calculate nanoparticle magnetization as a volumetric average of a spherical bulk material core and a passive outer shell. The shell thickness was calculated at 0.84 nm, very near one lattice constant of bulk Fe3O4, 0.8394 nm. Composites containing particulate volume fractions less than 20% were fabricated. Effective media theory was applied to measured AC composite permeability to extract particle magnetic properties and thereby anisotropy field, which increased by an order of magnitude from the bulk. Permeability decreased with particulate size.
Nanoscale “Curtain Rods”: High-Throughput Tools for Studying DNA-Protein Interactions
Authors: Fazio Teresa , Visnapuu Mari-Liis , Wind Shalom J. , Greene Eric 
Published: February 2009

AbstractIn this work, we combine nanoscale engineering with single-molecule biology to probe the biochemical interactions between individual proteins and DNA. This approach, a vast improvement over previous methods, constructs a platform to observe thousands of protein-DNA interactions in real time with unprecedented detail. A key challenge in these experiments involves collecting enough statistically relevant data in order to analyze reactions which are designed to be probed individually. “DNA curtains” are formed by flowing the DNA tethered to a lipid bilayer across nanopatterned barriers, facilitating massively parallel data acquisition.
Modeling of Toluene Diffusion and Swelling Behavior in EEA-CNP Conductive Polymer NanoComposite (CPC)
Authors: Thevenot Sylvain , Salagnac P. , Glouannec P. , Feller Jean-François 
Published: February 2009

ABSTRACTElectrically Conductive Polymer nanocomposites have attracted lots of attention in the last years, especially for their sensitivities to external solicitations, like temperature or pressure variation. This work concerns the modelling of toluene diffusion behaviour in poly(ethylene-co-ethyl acrylate) (EEA)-carbon nanoparticles (CNP) CPC. One of the main objective of our work was to control and model the physical mechanisms involved in this type of material during sorption and desorption phases in the presence of solvent vapour. Two approaches was explore, thin layer to study quick electrical response and thick layer to look after swelling effect induces by toluene. The thick layer mass measurement was compare with our diffusion model.
Conducting Polymer nanoComposites (CPC): Nanocharacterisation of layer by layer sprayed PMMA-CNT vapour sensors by Atomic force Microscopy in current Sensing Mode (CS-AFM)
Authors: Kumar Bijandra , Castro Mickaël , Lu Jianbo , Feller Jean-François 
Published: February 2009

ABSTRACTOrganic vapour sensors based on poly (methylmethacrylate)-multi-wall carbon nanotubes (PMMA-CNT) conductive polymer nanocomposite (CPC) were developed via layer by layer technique by spray deposition. CPC Sensors were exposed to three different classes of solvents (chloroform, methanol and water) and their chemo-electrical properties were followed as a function of CNTcontent in dynamic mode. Detection time was found to be shorter than that necessary for full recovery of initial state. CNT real three dimensional network has been visualized by Atomic force microscopy in a field assisted intermittent contact mode. More interestingly real conductive network system and electrical ability of CPC have been explored by current-sensing atomic force microscopy (CS-AFM). Realistic effect of voltage on electrical conductivity has been found linear.
Electrospinning and Characterization of the Stable and “Metastable” Self-Assembled Poly(ethylene oxide)-Urea Complexes
Authors: Liu Yang , Antaya Hélène , Pellerin Christian 
Published: February 2009

ABSTRACTSolution electrospinning was used to prepare fibers of both the stable – trigonal α and “metastable” – orthorhombic β complexes between poly(ethylene oxide) (PEO) and urea. The 300-800 nm fibers were highly crystalline and both types presented a relatively large level of molecular orientation. Characterization of the poorly-studied β complex was performed using wide-angle X-ray diffraction, infrared spectroscopy, optical microscopy and differential scanning calorimetry. It was shown that β complex possesses a 3:2 PEO:urea stoichiometry, in contrast with a previously suggested 1:1 molar ratio, and that the α inclusion complex keeps the 4:9 molar ratio as when prepared by the conventional co-crystallization method. A new structural model was suggested for the β complex, in which the unit cell would contain 12 PEO repeat units (4 chains in the ab plane with 3 repeat units along the c axis) and 8 urea molecules arranged in a ribbon-like structure and intercalated between the two PEO layers. This layer-structured β complex is quite different from the usual channel-like α inclusion complex and results in different phase transitional properties.