A Bayesian inference methodology using a Markov Chain Monte Carlo (MCMC) sampling procedure is presented for estimating the parameters of computational structural models. This methodology combines prior information, measured data, and forward models to produce a posterior distribution for the system parameters of structural models that is most consistent with all available data. The MCMC procedure is based upon a Metropolis-Hastings algorithm that is shown to function effectively with noisy data, incomplete data sets, and mismatched computational nodes/measurement points. A series of numerical test cases based upon a cantilever beam is presented. The results demonstrate that the algorithm is able to estimate model parameters utilizing experimental data for the nodal displacements resulting from specified forces.

Addition of CO to [1,2,4-(Me3C)3C5H2]2CeH, Cp'2CeH, intoluene yields the cis (Cp'2Ce)2(mu-OCHCHO), in which the cis enediolategroup bridges the two metallocene fragments. The cis enediolatequantitatively isomerizes intramolecularly to the trans-enediolate inC6D6 at 100oC over seven months. When the solvent is pentane,Cp'2Ce(OCH2)CeCp'2 forms, in which the oxomethylene group or theformaldehyde dianion bridges the two metallocene fragments. The cisenediolate is suggested to form by insertion of CO into the Ce-C bond ofCp'2Ce(OCH2)CeCp'2 generating Cp'2CeOCH2COCeCp'2. The stereochemistry ofthe cis-enediolate is determined by a 1,2-hydrogen shift in the OCH2COfragment that has the OC(H2) bond anti periplanar relative to the carbenelone pair. The bridging oxomethylene complex reacts with H2, but not withCH4, to give Cp'2CeOMe, which is also the product of the reaction betweenCp'2CeH and a mixture of CO and H2. The oxomethylene complex reacts withCO to give the cis enediolate complex. DFT calculations on C5H5 modelmetallocenes show that the reaction of Cp2CeH with CO and H2 to giveCp2CeOMe is exoergic by 50 kcal mol-1. The net reaction proceeds by aseries of elementary reactions that occur after the formyl complex,Cp2Ce(eta-2 CHO), is formed by further reaction with H2. The key pointthat emerges from the calculated potential energy surface is thebifunctional nature of the metal formyl in …

This project's goal is to provide a proof of concept for mobile data collection applications, and identify the best ways such applications could be implemented and used. Such an application should decrease the time and resources users now need to devote to redundant data processes, and provide an easy of locating and retrieving data at a later time. The two types of available mobile devices, Personal Digital Assistants and Tablet Personal Computers, each have their particular strengths that suggest themselves for certain types of applications. As such, parallel data collection applications have been developed, with a common web application for uploading information to the database. While these aspects have been developed and proven, it still remains to refine these applications, develop the tables to hold their data, and field-test with users for their feedback.

Techniques to calculate one-loop radiative corrections to hyperfine splitting including binding corrections to all orders have been developed in the last decade for s states of atoms and ions. In this paper these methods are extended to p{sub 1/2} states for three cases. In the first case, the point-Coulomb 2p{sub 1/2} hyperfine splitting is treated for the hydrogen isoelectronic sequence, and the lowest order result, {alpha}/4{pi} E{sub F}, is shown to have large binding corrections at high Z. In the second case, neutral alkalis are considered. In the third case, hyperfine splitting of the 2p{sub 1/2} state of lithium-like bismuth is treated. In the latter two cases, correlation corrections are included and, in addition, the point is stressed that uncertainties associated with nuclear structure, which complicate comparison with experiment for s states, are considerably reduced because of the smaller overlap with the nucleus.

During the past several years, an International Scoping Study (ISS) of a Neutrino Factory was carried out, with the aim of developing an internationally accepted baseline facility design. Progress toward that goal will be described. Many of the key technical aspects of a Neutrino Factory facility design are presently being investigated experimentally, and the status of these investigations will be mentioned. Plans for the recently launched International Design Study (IDS), which serves as a follow-on to the ISS, will be briefly described.

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Synthetic chemists have provided a wide array of supramolecular assemblies able to encapsulate guest molecules. The scope of this tutorial review focuses on supramolecular host molecules capable of reversibly encapsulating polyatomic guests. Much work has been done to determine the mechanism of guest encapsulation and guest release. This review covers common methods of monitoring and characterizing guest exchange such as NMR, UV-VIS, mass spectroscopy, electrochemistry, and calorimetry and also presents representative examples of guest exchange mechanisms. The guest exchange mechanisms of hemicarcerands, cucurbiturils, hydrogen-bonded assemblies, and metal-ligand assemblies are discussed. Special attention is given to systems which exhibit constrictive binding, a motif common in supramolecular guest exchange systems.

The National Ignition Facility (NIF) requires optical diagnostics for measuring shock velocities in shock physics experiments. The velocity interferometer for any reflector measures shock velocities at a location remote to the NIF target chamber. Our team designed two systems, one for a polar port orientation, and the other to accommodate two equatorial ports. The polar-oriented design requires a 48-m optical relay to move the light from inside the target chamber to a separately housed measurement and laser illumination station. The currently operational equatorial design requires a much shorter relay of 21 m. Both designs posed significant optomechanical challenges due to the long optical path length, large quantity of optical elements, and stringent NIF requirements. System design had to tightly control the use of lubricants and materials, especially those inside the vacuum chamber; tolerate earthquakes and radiation; and consider numerous other tolerance, alignment, and steering adjustment issues. To ensure compliance with NIF performance requirements, we conducted a finite element analysis.

Biofilms are bacterial communities residing within a polysaccharide matrix that are associated with persistence and antibiotic resistance in chronic infections. We show that the opportunistic pathogen Pseudomonas aeruginosa forms biofilms within 8 hours of infection in thermally-injured mice, demonstrating that biofilms contribute to bacterial colonization in acute infections. P. aeruginosa biofilms were visualized within burned tissue surrounding blood vessels and adipose cells. Although quorum sensing (QS), a bacterial signaling mechanism, coordinates differentiation of biofilms in vitro, wild type and QS-deficient P. aeruginosa formed similar biofilms in vivo. Our findings demonstrate that P. aeruginosa forms biofilms on specific host tissues independent of QS.

Bechtel Nevada/NSTec recently announced deployment of their fifth generation streak camera. This camera incorporates many advanced features beyond those currently available for streak cameras. The arc-resistant driver includes a trigger lockout mechanism, actively monitors input trigger levels, and incorporates a high-voltage fault interrupter for user safety and tube protection. The camera is completely modular and may deflect over a variable full-sweep time of 15 nanoseconds to 500 microseconds. The camera design is compatible with both large- and small-format commercial tubes from several vendors. The embedded microprocessor offers Ethernet connectivity, and XML [extensible markup language]-based configuration management with non-volatile parameter storage using flash-based storage media. The camera’s user interface is platform-independent (Microsoft Windows, Unix, Linux, Macintosh OSX) and is accessible using an AJAX [asynchronous Javascript and XML]-equipped modem browser, such as Internet Explorer 6, Firefox, or Safari. User interface operation requires no installation of client software or browser plug-in technology. Automation software can also access the camera configuration and control using HTTP [hypertext transfer protocol]. The software architecture supports multiple-simultaneous clients, multiple cameras, and multiple module access with a standard browser. The entire user interface can be customized.

Direct imaging of exoplanets is limited by bright quasi-static speckles in the point spread function (PSF) of the central star. This limitation can be reduced by subtraction of reference PSF images. We have developed an algorithm to construct an optimal reference PSF image from an arbitrary set of reference images. This image is built as a linear combination of all available images and is optimized independently inside multiple subsections of the image to ensure that the absolute minimum residual noise is achieved within each subsection. The algorithm developed is completely general and can be used with many high contrast imaging observing strategies, such as angular differential imaging (ADI), roll subtraction, spectral differential imaging, reference star observations, etc. The performance of the algorithm is demonstrated for ADI data. It is shown that for this type of data the new algorithm provides a gain in sensitivity by up 22 to a factor 3 at small separation over the algorithm previously used.

We have previously evaluated the ductility behaviors of U-6Nb and pure Ta. One important observation was that both alloys have very stable necking ductility independent of test conditions. In contrast, uniform ductility varied significantly depending upon strain rates and temperatures. In general, higher strain rate and lower temperature reduce the uniform ductility. Using literature data, we have developed two dynamic ductility models to predict the ductility behaviors of pure-Ta and water-quenched U-6Nb respectively under extreme conditions. In this study we further evaluate the aging effect on U-6Nb and the W-addition effect on Ta. For U-6Nb, the objective is to determine whether or not the ductility degradation by low-temperature aging mostly measured in quasi-static condition can still be observed under dynamic loading (high strain rate) condition. For Ta-W alloys, the focus is to identify the key control parameter so that the optimal condition of high-strength/high-ductility of Ta-10W can be achieved for certain defense-related applications.

The authors discuss a cosmology in which cold dark-matter particles decay into relativistic particles. They argue that such decays could lead naturally to a bulk viscosity in the cosmic fluid. for decay lifetimes comparable to the present hubble age, this bulk viscosity enters the cosmic energy equation as an effective negative pressure. They investigate whether this negative pressure is of sufficient magnitude to account for the observed cosmic acceleration. They show that a single decaying species in a {Lambda} = 0, flat, dark-matter dominated cosmology can not reproduce the observed magnitude-redshift relation from Type Ia supernovae. However, a delayed bulk viscosity, possibly due to a cascade of decaying particles may be able to account for a significant fraction of the apparent cosmic acceleration. Possible candidate nonrelativistic particles for this scenario include sterile neutrinos or gauge-mediated decaying supersymmetric particles.

We are concerned with the solution of time-dependent electromagnetic eddy current problems using a finite element formulation on three-dimensional unstructured meshes. We allow for multiple conducting regions, and our goal is to develop an efficient computational method that does not require a computational mesh of the air/vacuum regions. This requires a sophisticated global boundary condition specifying the total fields on the conductor boundaries. We propose a Biot-Savart law based volume-to-surface boundary condition to meet this requirement. This Biot-Savart approach is demonstrated to be very accurate. In addition, this approach can be accelerated via a low-rank QR approximation of the discretized Biot-Savart law.

Ga-stabilized {delta}-Pu undergoes small changes in density with time. These have been associated with four different causes: an initial reversible expansion that saturates after a short time; a continuous change that can be attributed to the in-growth of helium and actinide daughter products from the radioactive decay of plutonium; possible void swelling; and phase instability. We review our present understanding of these processes and evaluate their contributions to density changes. It is shown that the initial transient expansion is intimately connected with the metastability of the {delta}-phase at ambient temperature.

NbTi accelerator dipoles are limited to magneticfields (H)of about 10 T, due to an intrinsic upper critical field (Hc2) limitationof 14 T. To surpass this restriction, prototype Nb3Sn magnets are beingdeveloped which have reached 16 T. We show that Nb3Sn dipole technologyis practically limited to 17 to 18 T due to insufficient high fieldpinning, and intrinsically to 20 to 22 T due to Hc2 limitations.Therefore, to obtain magnetic fields approaching 20 T and higher, amaterial is required with a higher Hc2 and sufficient high field pinningcapacity. A realistic candidate for this purpose is Bi-2212, which isavailable in roundwires and sufficient lengths for the fabrication ofcoils based on Rutherford-type cables. We initiated a program to developthe required technology to construct accelerator magnets from'windand-react' (W&R) Bi-2212 coils. We outline the complicationsthat arise through the use of Bi-2212, describe the development paths toaddress these issues, and conclude with the design of W&R Bi-2212sub-scale magnets.

Characterization of transuranic waste is needed to makedecisions about waste site remediation. Soil-gas sampling for xenonisotopes can be used to define the locations of spent fuel andtransuranic wastes. Radioxenon in the subsurface is characteristic oftransuranic waste and can be measured with extreme sensitivity usinglarge-volume soilgas samples. Measurements at the Hanford Site showed133Xe and 135Xe levels indicative of 240Pu spontaneous fission. Stablexenon isotopic ratios from fission are distinct from atmospheric xenonbackground. Neutron capture by 135Xe produces an excess of 136Xe inreactor-produced xenon providing a means of distinguishing spent fuelfrom separated transuranic materials.

Predictions of the recently developed paleoclassical transport model are compared with data from many toroidal plasma experiments: electron heat diffusivity in DIII-D, C-Mod and NSTX ohmic and near-ohmic plasmas; transport modeling of DIII-D ohmic-level discharges and of the RTP ECH 'stair-step' experiments with eITBs at low order rational surfaces; investigation of a strong eITB in JT-60U; H-mode Te edge pedestal properties in DIII-D; and electron heat diffusivities in non-tokamak experiments (NSTX/ST, MST/RFP, SSPX/spheromak). The radial electron heat transport predicted by the paleoclassical model is found to agree with a wide variety of ohmic-level experimental results and to set the lower limit (within a factor {approx} 2) for the radial electron heat transport in most resistive, current-carrying toroidal plasmas -- unless it is exceeded by fluctuation-induced transport, which often occurs in the edge of L-mode plasmas and when the electron temperature is high ({approx}>T{sub e}{sup crit} {approx}B{sup 2/3}{bar {alpha}}{sup 1/2} keV) because then paleoclassical transport becomes less than gyro-Bohm-level anomalous transport.

We develop a nodal dislocation dynamics (DD) model to simulate plastic processes in fcc crystals. The model explicitly accounts for all slip systems and Burgers vectors observed in fcc systems, including stacking faults and partial dislocations. We derive simple conservation rules that describe all partial dislocation interactions rigorously and allow us to model and quantify cross-slip processes, the structure and strength of dislocation junctions and the formation of fcc-specific structures such as stacking fault tetrahedra. The DD framework is built upon isotropic non-singular linear elasticity, and supports itself on information transmitted from the atomistic scale. In this fashion, connection between the meso and micro scales is attained self-consistently with core parameters fitted to atomistic data. We perform a series of targeted simulations to demonstrate the capabilities of the model, including dislocation reactions and dissociations and dislocation junction strength. Additionally we map the four-dimensional stress space relevant for cross-slip and relate our findings to the plastic behavior of monocrystalline fcc metals.

We perform linear stability calculations for horizontal fluid bilayers that can undergo a phase transformation, taking into account both buoyancy effects and thermocapillary effects in the presence of a vertical temperature gradient. We compare the familiar case of the stability of two immiscible fluids in a bilayer geometry with the less-studied case that the two fluids represent different phases of a single-component material, e.g., the water-steam system. The two cases differ in their interfacial boundary conditions: the condition that the interface is a material surface is replaced by the continuity of mass flux across the interface, together with an assumption of thermodynamic equilibrium that in the linearized equations represents the Clausius-Clapeyron relation relating the interfacial temperature and pressures. For the two-phase case, we find that the entropy difference between the phases plays a crucial role in determining the stability of the system. For small values of the entropy difference between the phases, the two-phase system can be linearly unstable to either heating from above or below. The instability is due to the Marangoni effect in combination with the effects of buoyancy (for heating from below). For larger values of the entropy difference the two-phase system is unstable only for heating …

Based on the measured four-dimensional rate for D{sub s}{sup +} {yields} {phi}e{sup +}{nu}{sub e} decays, they have determined the ratios of the three hadronic form factors, {tau}{sub V} = V(0)/A{sub 1}(0) = 1.636 {+-} 0.067 {+-} 0.038 and {tau}{sub 2} = A{sub 2}(0)/A{sub 1}(0) = 0.705 {+-} 0.056 {+-} 0.029, using a simple pole ansatz for the q{sup 2} dependence, with fixed values of the pole masses for both the vector and axial form factors. By a separate fit to the same data, they have also extracted the pole mass for the axial form factors, m{sub A}: {tau}{sub V} = V(0)/A{sub 1}(0) = 1.633 {+-} 0.081 {+-} 0.068, {tau}{sub 2} = A{sub 2}(0)/A{sub 1}(0) = 0.711 {+-} 0.111 {+-} 0.096 and m{sub A} = (2.53{sub -0.35}{sup +0.54} {+-} 0.54)GeV/c{sup 2}.

In the proposed E-166 experiment at SLAC, 50 GeV electrons pass through a helical undulator, and produce circularly polarized photons, which interact with a tungsten target and generate longitudinally polarized positrons. The background is an important issue for an experiment under consideration. To address this issue, simulations were performed with the code GEANT3 to model the production of secondary particles from high-energy electrons hitting an undulator. The energy density of photons generated at the target has been analyzed. Results of the simulations are presented and discussed.

To study microwave instability the tracking code is developed. For bench marking, results are compared with Oide-Yokoya results [1] for broad-band Q = 1 impedance. Results hint to two possible mechanisms determining the threshold of instability.

The authors present measurements of time-dependent CP-violation asymmetries for the decays B{sup 0} {yields} {eta}'K{sup 0}. The data sample corresponds to 347 million B{bar B} pairs produced by e{sup +}e{sup -} annihilation at the {Upsilon}(4S) resonance in the PEP-II collider, and collected with the BABAR detector. The preliminary results are S = 0.55 {+-} 0.11 {+-} 0.02, and C = -0.015 {+-} 0.07 {+-} 0.03, where the first error quoted is statistical, the second systematic.