The goal of this project is to measure transport through CNTs and study effects of confinement at molecular scale. This work is motivated by several simulation papers in high profile journals that predict significantly higher transport rates of gases and liquids through carbon nanotubes as compared with similarly-sized nanomaterials (e.g. zeolites). The predictions are based on the effects of confinement, atomically smooth pore walls and high pore density. Our work will provide the first measurements that would compare to and hopefully validate the simulations. Gas flux is predicted to be >1000X greater for SWNTs versus zeolitesi. A high flux of 6-30 H2O/NT/ns {approx} 8-40 L/min for a 1cm{sup 2} membrane is also predicted. Neutron diffraction measurements indicate existence of a 1D water chain within a cylindrical ice sheet inside carbon nanotubes, which is consistent with the predictions of the simulation. The enabling experimental platform that we are developing is a semipermeable membrane made out of vertically aligned carbon nanotubes with gaps between nanotubes filled so that the transport occurs through the nanotubes. The major challenges of this project included: (1) Growth of CNTs in the suitable vertically aligned configuration, especially the single wall carbon nanotubes; (2) Development of a process …

Paleoclassical transport [1] is a recently proposed fundamental process that is claimed to occur in resistive plasmas and to be missing in the collisional drift-kinetic equations (DKE) in standard use. In this Comment we raise three puzzles presented by paleoclassical transport as developed in [1], one to do with conservation and two concerning uniqueness.

We report on the results of a visual search for galaxy-scale strong gravitational lenses over 650 arcmin{sup 2} of HST/ACS (F606W and F814W) imaging in the DEEP2-Extended Groth Strip (EGS). In addition to a previously-known Einstein Cross also found by our search (the 'Cross', HSTJ141735+52264, z{sub lens} = 0.8106, z{sub source} = 3.40), we identify two new strong galaxy-galaxy lenses with multiple extended arcs. The first, HSTJ141820+52361 (the 'Dewdrop'; z{sub lens} = 0.5798), lenses two distinct extended sources into two pairs of arcs (z{sub source} = 0.9818), while the second, HSTJ141833+52435 (the 'Anchor'; z{sub lens} = 0.4625), produces a single pair of arcs (z{sub lens} not yet known). Four less convincing arc/counter-arc and two-image lens candidates are also found and presented for completeness. Lenses are found in a both underdense and overdense local environments, as characterized by a robust measure, 1+{delta}{sub 3}, a normalized density that uses the distance to the third nearest neighbor. All three definite lenses are fit reasonably well by simple singular isothermal ellipsoid models including external shear, giving {chi}{sub {nu}}{sup 2} values close to unity. These shears are much greater than those implied by a simple consideration of the three-dimensional convergence and shear from galaxies along …

The 100-F-38 Stained Soil site was an area of yellow stained soil that was discoverd while excavating a trench for the placement of electrical conduit. The 100-F-38 Stained Soil site meets the remedial action objectives specified in the Remaining Sites ROD. The results of verification sampling show demonstrate that residual contaminant concentrations support future unrestricted land uses that can be represented by a rural-residential scenario. The results also show that residual contaminant concentrations do not preclude any future uses and allow for unrestricted use of shallow zone soils and the contaminant concentrations remaining in the soil are protective of groundwater and the Columbia River.

A numerical method is described for inviscid, compressible, multi-material flow in two space dimensions. The flow is governed by the multi-material Euler equations with a general mixture equation of state. Composite overlapping grids are used to handle complex flow geometry and block-structured adaptive mesh refinement (AMR) is used to locally increase grid resolution near shocks and material interfaces. The discretization of the governing equations is based on a high-resolution Godunov method, but includes an energy correction designed to suppress numerical errors that develop near a material interface for standard, conservative shock-capturing schemes. The energy correction is constructed based on a uniform pressure-velocity flow and is significant only near the captured interface. A variety of two-material flows are presented to verify the accuracy of the numerical approach and to illustrate its use. These flows assume an equation of state for the mixture based on Jones-Wilkins-Lee (JWL) forms for the components. This equation of state includes a mixture of ideal gases as a special case. Flow problems considered include unsteady one-dimensional shock-interface collision, steady interaction of an planar interface and an oblique shock, planar shock interaction with a collection of gas-filled cylindrical inhomogeneities, and the impulsive motion of the two-component mixture in …

With the goal of understanding how to mitigate the safety hazard of splash and spray around heavy vehicles, a computational study of the aerodynamics and spray dispersion about a simplified trailer wheel assembly has been completed. A tandem dual slick (TDS) wheel model that neglects complex geometric features such as brakes, wheel bolts and wheel cutouts but with the same dimensions as an actual trailer wheel assembly was used . A detailed simulation of the wheels alone demonstrated that the flow field is both unsteady and complex, containing a number of vortical structures that interact strongly with spray. Preliminary simulations with fenders and fairings demonstrated that these devices prevent the ballistic transport of drops larger than approximately 0.1 mm, but the fine mist speculated to be responsible for visibility reduction is unaffected. This work suggests that to use computational fluid dynamics (CFD) to design and evaluate spray mitigation strategies the jet or sheet breakup processes can be modeled using an array of injectors of small (< 0.01 mm) water droplets; however the choice of size distribution, injection locations, directions and velocities is largely unknown and requires further study. Possible containment strategies would include using flow structures to 'focus' particles into …

Monte Carlo calculations of the giant-dipole-resonance photoneutrons (GRN) around the Varian Clinac 2100C/2300C medical accelerator heads (10-20 MV modes) were made using the coupled EGS4-MORSE code. The actual head materials and geometries were simulated in great detail using the Combinatorial Geometry facility of MORSE. The neutron production (i.e., sites and yields) was calculated with EGS4 and, then, the neutron transport in the accelerator head was done with MORSE. Both the evaporation and direct neutron components of the GRN were considered by incorporating the EVAP4 code and an empirical algorithm, respectively, into MORSE. With the calculated neutron spectra around the head as source terms, MCNP4a was used to estimate the corresponding dose equivalent transmission (considering both the neutron attenuation and the build-up of captured gamma rays) in several different types of concrete. The calculated results of the absolute neutron fluence and spectra around the heads, as well as the transmission curves, are presented and discussed.

The SSPX spheromak experiment has achieved electron temperatures of 350eV and confinement consistent with closed magnetic surfaces. In addition, there is evidence that the experiment may be up against an operational beta limit for Ohmic heating. To test this barrier, there are firm plans to add two 0.9MW Neutral Beam (NB) sources to the experiment. A question is whether the limit is due to instability. Since the deposited Ohmic power in the core is relatively small the additional power from the beams is sufficient to significantly increase the electron temperature. Here we present results of computations that will support this contention. We have developed a new NB module to calculate the orbits of the injected fast fast-ions. The previous computation made heavy use of tokamak ordering which fails for a tight-aspect-ratio device, where B{sub tor} {approx} B{sub pol}. The model calculates the deposition from the NFREYA package [1]. The neutral from the CX deposition is assumed to be ionized in place, a high-density approximation. The fast ions are then assumed to fill a constant angular momentum orbit. And finally, the fast ions immediately assume the form of a dragged down distribution. Transfer rates are then calculated from this distribution function …

Work performed as a part of this ER sets the foundation for applications of high brightness light sources to important homeland security and nonproliferation problems. Extensive modeling has been performed with the aim to understand the performance of a class of interrogation systems that exploit nuclear resonance fluorescence to detect specific isotopes, of particular importance for national security and industry.

Gold is a highly valuable metal that can concentrate in iron-rich exogenetic horizons such as laterites. An improved knowledge of the retention mechanisms of gold onto highly reactive soil components such as iron oxyhydroxides is therefore needed to better understand and predict the geochemical behavior of this element. In this study, we use EXAFS information and titration experiments to provide a realistic thermochemical description of the sorption of trivalent gold onto iron oxy-hydroxides. Analysis of Au L{sub III}-edge XAFS spectra shows that aqueous Au(III) adsorbs from chloride solutions onto goethite surfaces as inner-sphere square-planar complexes (Au(III)(OH,Cl){sub 4}), with dominantly OH ligands at pH > 6 and mixed OH/Cl ligands at lower pH values. In combination with these spectroscopic results, Reverse Monte Carlo simulations were used to constraint the possible sorption sites on the surface of goethite. Based on this structural information, we calculated sorption isotherms of Au(III) on Fe oxy-hydroxides surfaces, using the CD-MUSIC (Charge Distribution--Multi Site Complexation) model. The various Au(III)-sorbed species were identified as a function of pH, and the results of these EXAFS+CD-MUSIC models are compared with titration experiments. The overall good agreement between the predicted and measured structural models shows the potential of this combined approach …

The local structure around Th, U, Ce and Nd in leached silicate glasses was examined using XAFS spectroscopy at their L3 edges and also at the K edge of Fe, Co, Ni, Zr and Mo. Pellets of inactive borosilicate glasses with a simplified or a complex composition were leached statically at 90 C, at pH buffered to 0 or 6 for 28 days (surface/volume, S/V, ratios of 0.1 cm{sup -1}). These glasses are compared to another SON68 sample (denoted ''SP1'' in this paper) that was statically leached for 12 years under similar conditions, except for a higher S/V of 12 cm{sup -1} and a higher unconstrained pH of 9.6. The speciation of Fe, Co, Ni, Zr and Mo in the simple and the complex unleached are similar. In the statically leached glasses, the speciation of these transition metals is mostly identical to in the unleached glasses, except in the gels formed at the surface of the glasses leached at low pH, where large speciation differences are observed. Surface precipitates, especially for Fe (as ferrihydrite), Mo (possibly sidwillite) and Th (as ThO{sub 2}) were detected. Finally, the drying of the gels considerably affects the metal speciation by enhancing metal polymerization.

Anisotropic and heterogeneous flow in unsaturated porous media is dependent on saturation conditions, and currently there exist limited options that adequately model this phenomenon. The phenomenon of lateral spreading commonly attributed to anisotropy can move contaminants beyond compliance boundaries at unexpected velocitites essentially bypassing large regions of the subsurface.

We review an approach to the simulation of the class of microstructural and morphological evolution involving both relatively short-ranged chemical and interfacial interactions and long-ranged elastic interactions. The calculation of the anharmonic elastic energy is facilitated with Lanczos recursion. The elastic energy changes affect the rate of vacancy hopping, and hence the rate of microstructural evolution due to vacancy mediated diffusion. The elastically informed hopping rates are used to construct the event catalog for kinetic Monte Carlo simulation. The simulation is accelerated using a second order residence time algorithm. The effect of elasticity on the microstructural development has been assessed. This article is related to a talk given in honor of David Pettifor at the DGP60 Workshop in Oxford.

We present a compact and accurate representation of a whole-program abstract syntax tree, and use it to detect a specific security vulnerability in C++ programs known as a One-Definition Rule (ODR) violation. The ODR states that types and functions appearing in multiple compilation units must be defined identically. However, no current compiler can enforce ODR because doing so requires the ability to see the full application source at once; where ODR is violated, the program is incorrect. Moreover, a lack of ODR enforcement makes a program vulnerable to the so-called VPTR exploit, in which an object's virtual function table is replaced by malicious code. Our representation of the whole program preserves all features of the source for analysis and transformation, and permits a million-line application to fit entirely in the memory of a workstation with 1 GB of RAM.

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The objective of this project is to investigate the applicability of a combined Global Positioning System and Inertial Measurement Unit (GPS/IMU) for information based displays on earthmoving machines and for automated earthmoving machines in the future. This technology has the potential of allowing an information-based product like Caterpillar's Computer Aided Earthmoving System (CAES) to operate in areas with satellite shading. Satellite shading is an issue in open pit mining because machines are routinely required to operate close to high walls, which reduces significantly the amount of the visible sky to the GPS antenna mounted on the machine. An inertial measurement unit is a product, which provides data for the calculation of position based on sensing accelerations and rotation rates of the machine's rigid body. When this information is coupled with GPS it results in a positioning system that can maintain positioning capability during time periods of shading.

Theory predicts that with an ultrashort and extremely bright coherent X-ray pulse, a single diffraction pattern may be recorded from a large macromolecule, a virus, or a cell before the sample explodes and turns into a plasma. Here we report the first experimental demonstration of this principle using the FLASH soft X-ray free-electron laser. An intense 25 fs, 4 x 10{sup 13} W/cm{sup 2} pulse, containing 10{sup 12} photons at 32 nm wavelength, produced a coherent diffraction pattern from a nano-structured non-periodic object, before destroying it at 60,000 K. A novel X-ray camera assured single photon detection sensitivity by filtering out parasitic scattering and plasma radiation. The reconstructed image, obtained directly from the coherent pattern by phase retrieval through oversampling, shows no measurable damage, and extends to diffraction-limited resolution. A three-dimensional data set may be assembled from such images when copies of a reproducible sample are exposed to the beam one by one.

This project addresses the development of advanced fabrication capabilities for energy saving electrochromic (EC) windows. SAGE EC windows consist of an inorganic stack of thin films deposited onto a glass substrate. The window tint can be reversibly changed by the application of a low power dc voltage. This property can be used to modulate the amount of light and heat entering buildings (or vehicles) through the glazings. By judicious management of this so-called solar heat gain, it is possible to derive significant energy savings due to reductions in heating lighting, and air conditioning (HVAC). Several areas of SAGE’s production were targeted during this project to allow significant improvements to processing throughput, yield and overall quality of the processing, in an effort to reduce the cost and thereby improve the market penetration. First, the overall thin film process was optimized to allow a more robust set of operating points to be used, thereby maximizing the yield due to the thin film deposition themselves. Other significant efforts aimed at improving yield were relating to implementing new procedures and processes for the manufacturing process, to improve the quality of the substrate preparation, and the quality of the IGU fabrication. Furthermore, methods for reworking …

We propose to build and deploy a 10-kg dual-phase argon ionization detector for the detection of coherent neutrino-nucleus scattering, which is described by the reaction; (V) + (Z,N) {yields} (v) + (Z,N). Our group would be the first to make this measurement. Its detection would validate (or refute) central tenets of the Standard Model. The existence of this process is also relevant to astrophysics, where coherent neutrino scattering is assumed to impede energy transport within neutron stars. We have built a gas-phase argon ionization detector to determine the feasibility of measuring small recoil energies ({approx}1keV) predicted from coherent neutrino scattering, and to characterize the recoil spectrum of the argon nuclei induced by scattering from medium-energy neutrons. We present calibrations made with 55-Fe, a low energy x-ray source, and describe a planned measurement of the recoil spectra from the 60keV Lithium-target neutron generator at LLNL. A high signal-to-noise measurement of the recoil spectrum will not only serve an important milestone in achieving the sensitivity necessary for measuring coherent neutrino-nucleus scattering, but will break new scientific ground by providing a first ever measurement of low-energy quenching factors in argon. Coherent scattering occurs when the momentum transfer from a neutrino to the nucleus …

Numerical issues with modeling transport of chemicals or solute in realistic large-scale subsurface systems have been a serious concern, even with the continual progress made in both simulation algorithms and computer hardware in the past few decades. The problem remains and becomes even more difficult when dealing with chemical transport in a multiphase flow system using coarse, multidimensional regular or irregular grids, because of the known effects of numerical dispersion associated with moving plume fronts. We have investigated several total-variation-diminishing (TVD) or flux-limiter schemes by implementing and testing them in the T2R3D code, one of the TOUGH2 family of codes. The objectives of this paper are (1) to investigate the possibility of applying these TVD schemes, using multi-dimensional irregular unstructured grids, and (2) to help select more accurate spatial averaging methods for simulating chemical transport given a numerical grid or spatial discretization. We present an application example to show that such TVD schemes are able to effectively reduce numerical dispersion.

Se K-edge XAFS spectra were collected for various model compounds of Se as well as for 3 biofilm samples from bioreactors used for Se-contaminated wastewater treatment. In the biofilm samples, Se is dominantly as Se(0) despite Se K-edge XANES spectroscopy cannot easily distinguish between elemental Se and Se(-I)-bearing selenides. EXAFS spectra indicate that Se is located within aperiodic domains, markedly different to these known in monoclinic red selenium. However, Se can well occur within nanodivided domains related to monoclinic red Se, as this form was optically observed at the rim of some sludges. Aqueous selenate is then efficiently bioreduced, under sulfate reducing and methanogenic conditions.

The supersymmetric SU(N{sub c}) Yang-Mills theory coupled to NF matter fields in the fundamental representation has meta-stable vacua with broken supersymmetry when N{sub C} < N{sub F} < 3/2 N{sub C}. By gauging the flavor symmetry, this model can be coupled directly to the standard model. We show that it is possible to make a slight deformation to the model so that gaugino masses are generated and the Landau pole problem can be avoided. The deformed model has simple realizations on intersecting branes in string theory, where various features of the meta-stable vacua are encoded geometrically as brane configurations.

The reaction of [W(=NAr)(=CHtBu)(CH2tBu)2](1; Ar =2,6-iPrC6H3) with a silica partially dehydroxylated at 700oC, SiO2-(700),gives syn-[(_SiO)W(=NAr)(=CHtBu)(CH2tBu)](2) as a major surface species,which was fully characterized by mass balance analysis, IR, NMR, EXAFS,and DFT periodic calculations. Similarly, complex 1 reacts with[(c-C5H9)7Si7O12SiOH]to give [(SiO)W(=NAr)(=CHtBu)(CH2tBu)](2m), whichshows similar spectroscopic properties. Surface complex 2 is a highlyactive propene metathesis catalyst, which can achieve a TON of 16000within 100 h, with only a slow deactivation.

Spent nuclear fuel contains fissionable materials ({sup 235}U, {sup 239}Pu, {sup 241}Pu, etc.). Neutron multiplication and the potential for criticality are enhanced by the presence of a moderator during cask loading in water, water incursion in accidents conditions during spent fuel storage or transport. To prevent nuclear criticality in spent fuel storage, transportation, and during disposal, neutron-absorbing materials (or neutron poisons, such as borated stainless steel, Boral{trademark}, Metamic{trademark}, Ni-Gd, and others) would have to be applied. The success in demonstrating that the High-Performance Corrosion-Resistant material (HPCRM) can be thermally applied as coating onto base metal to provide for corrosion resistance for many naval applications raises the interest in applying the HPCRM to USDOE/OCRWM spent fuel management program. The fact that the HPCRM relies on the high content of boron to make the material amorphous--an essential property for corrosion resistance--and that the boron has to be homogeneously distributed in the HPCRM qualify the material to be a neutron poison.