A direct implicit particle-in-cell (PIC) simulation model with full electromagnetic (EM) effects has been implemented in 2-D Cartesian geometry. The model, implemented with the D/sub 1/ time differencing scheme, was first implemented in a 1-D electrostatic (ES) version to gain some experience with spatial differencing in forms suitable for extension to the full EM field in two dimensions. The implicit EM field solve is considerably different from the implicit ES code. The EM field calculation requires an inductive part as well as the electrostatic and the B field must be self-consistently advanced.

None

Here we study the plausibility of a phase oscillators dynamical model for TDMA in wireless communication networks. We show that emerging patterns of phase locking states between oscillators can eventually oscillate in a round-robin schedule, in a similar way to models of pulse coupled oscillators designed to this end. The results open the door for new communication protocols in a continuous interacting networks of wireless communication devices.

Interactions between chemical functionalities define outcomes of the vast majority of important events in chemistry, biology and materials science. Chemical Force Microscopy (CFM)--a technique that uses direct chemical functionalization of AFM probes with specific functionalities--allows researchers to investigate these important interactions directly. We review the basic principles of CFM, some examples of its application, and theoretical models that provide the basis for understanding the experimental results. We also emphasize application of modern kinetic theory of non-covalent interactions strength to the analysis of CFM data.

None

None

We demonstrate a theoretical description of vibrational sum frequency generation (SFG) at the boundary of aqueous electrolyte solutions. This approach identifies and exploits a simple relationship between SFG lineshapes and the statistics of molecular orientation and electric field. Our computer simulations indicate that orientational averages governing SFG susceptibility do not manifest ion-specific shifts in local electric field, but instead, ion-induced polarization of subsurface layers. Counterbalancing effects are obtained for monovalent anions and cations at the same depth. Ions held at different depths induce an imbalanced polarization, suggesting that ion-specific effects can arise from weak, long ranged influence on solvent organization.

Corrosion of steel canisters, stored in a repository forspent fuel and high-level waste, leads to hydrogen gas generation in thebackfilled emplacement tunnels, which may significantly affect long-termrepository safety. Previous modeling studies used a constant H2generation rate. However, iron corrosion and H2 generation rates varywith time, depending on factors such as water chemistry, wateravailability, and water contact area. To account for these factors andfeedback mechanisms, we developed a chemistry model related to ironcorrosion, coupled with two-phase (liquid and gas) flow phenomena thatare driven by gas pressure buildup and water consumption. Resultsindicate that if H2 generation rates are dynamically calculated based ona chemistry model, the degree and extent of gas pressure buildup are muchsmaller compared to a simulation in which the coupling between flow andreactive transport mechansism is neglected.

The AERIN code was written at the Lawrence Livermore National Laboratory in 1976 to compute the organ burdens and absorbed dose resulting from a chronic or acute inhalation of transuranic isotopes. The code was revised in 1982 to reflect the concepts of ICRP-30. This paper will describe the AERIN code and how it has been used at LLNL to study more than 80 cases of internal deposition and obtain estimates of internal dose. A comparison with the computed values of the committed organ dose is made with ICRP-30 values. The benefits of using the code are described. 3 refs., 3 figs., 6 tabs.

Geochemical environments, fates, and effects are modeled for methane released into seawater by the decomposition of climate-sensitive clathrates. A contemporary global background cycle is first constructed, within the framework of the Parallel Ocean Program. Input from organics in the upper thermocline is related to oxygen levels, and microbial consumption is parameterized from available rate measurements. Seepage into bottom layers is then superimposed, representing typical seabed fluid flow. The resulting CH{sub 4} distribution is validated against surface saturation ratios, vertical sections, and slope plume studies. Injections of clathrate-derived methane are explored by distributing a small number of point sources around the Arctic continental shelf, where stocks are extensive and susceptible to instability during the first few decades of global warming. Isolated bottom cells are assigned dissolved gas fluxes from porous-media simulation. Given the present bulk removal pattern, methane does not penetrate far from emission sites. Accumulated effects, however, spread to the regional scale following the modeled current system. Both hypoxification and acidification are documented. Sensitivity studies illustrate a potential for material restrictions to broaden the perturbations, since methanotrophic consumers require nutrients and trace metals. When such factors are considered, methane buildup within the Arctic basin is enhanced. However, freshened polar surface …

A key issue in heavy-ion beam inertial confinement fusion is target interaction, especially implosion symmetry. In this paper the 2D beam irradiation nonuniformity on the surface of a spherical target is studied. This is a first step to studies of 3D dynamical effects on target implosion. So far non-rotated beams have been studied. Because normal incidence may increase Rayleigh-Taylor instabilities, it has been suggested to rotate beams (to increase average uniformity) and hit the target tangentially. The level of beam irradiation uniformity, beam spill and normal incidence is calculated in this paper. In Mathematica the rotated beams are modeled as an annular integrated Gaussian beam. To simplify the chamber geometry, the illumination scheme is not a 4{pi} system, but the beams are arranged on few polar rings around the target. The position of the beam spot rings is efficiently optimized using the analytical model. The number of rings and beams, rotation radii and widths are studied to optimize uniformity and spilled intensity. The results demonstrate that for a 60-beam system on four rings Peak-To-Valley nonuniformities of under 0.5% are possible.

A relatively new technique for measuring the electron cloud density in storage rings has been developed and successfully demonstrated [S. De Santis, J.M. Byrd, F. Caspers, A. Krasnykh, T. Kroyer, M.T.F. Pivi, and K.G. Sonnad, Phys. Rev. Lett. 100, 094801 (2008).]. We present the experimental results of a systematic application of this technique at the Cornell Electron Storage Ring Test Accelerator. The technique is based on the phase modulation of the TE mode transmitted in a synchrotron beam pipe caused by the periodic variation of the density of electron plasma. Because of the relatively simple hardware requirements, this method has become increasingly popular and has been since successfully implemented in several machines. While the principles of this technique are straightforward, quantitative derivation of the electron cloud density from the measurement requires consideration of several effects, which we address in detail.

The local environments around Ti, Cr, and several light rare-earth elements (La, Ce, and Nd) were investigated by in-situ XANES spectroscopy in a number of complex borosilicate glasses and melts (to 1120 C) that are used for nuclear waste storage. Examination of the high-resolution XANES spectra at the Ti K-edge shows that the average coordination of Ti changes from {approx}5 to {approx}4.5. Cr is dominantly trivalent in the melts studied. However, its average coordination is probably lower in the melt (tetrahedral ?) as revealed by the more intense Cr-K pre-edge feature. Ce also changes its average valence from dominantly +4 to +3.5 upon glass melting. These changes are reversible at T{sub g}, the glass transition temperature ({approx}500-550 C for these glasses). In contrast, the local environments of Nd, Pr, and La are unaffected by melting. Therefore, structural reorganization of these borosilicate glass/melts above T{sub g} is variable, not only in terms of valence (as for Ce) but also speciation (Ti and Cr). Both the ability of B to adopt various coordination geometries (triangular and tetrahedral) and the chemical complexity of the glass/melts explain these changes.

Total mercury levels were measured in largemouth bass (Micropterus salmoides), ''sunfishes'' (Lepomis spp)., and ''catfish'' (primarily Ameiurus spp.) from 1971 to 2004 in the middle reaches of the Savannah River, which drains the coastal plain of the southeastern U.S. Mercury levels were highest in 1971 but declined over the next ten years due to the mitigation of point sources of industrial pollution. Mercury levels began to increase in the 1980s as a possible consequence of mercury inputs from tributaries and associated wetlands where mercury concentrations were significantly elevated in water and fish. Mercury levels in Savannah River fish decreased sharply in 2001-2003 coincident with a severe drought in the Savannah River basin, but returned to previous levels in 2004 with the resumption of normal precipitation. Regression models showed that mercury levels in Savannah River fish changed significantly over time and were affected by river discharge. Despite temporal changes, there was little overall difference in Savannah River fish tissue mercury levels between 1971 and 2004.

Plasma production via field ionization occurs when an incoming particle beam is sufficiently dense that the electric field associated with the beam ionizes a neutral vapor or gas. Experiments conducted at the Stanford Linear Accelerator Center explore the threshold conditions necessary to induce field ionization by an electron beam in a neutral lithium vapor. By independently varying the transverse beam size, number of electrons per bunch or bunch length, the radial component of the electric field is controlled to be above or below the threshold for field ionization. Additional experiments ionized neutral xenon and neutral nitric oxide by varying the incoming beam's bunch length. A self-ionized plasma is an essential step for the viability of plasma-based accelerators for future high-energy experiments.

We present a short review of current theories of glass weathering, including glass dissolution, and hydrolysis of nuclear waste glasses, and leaching of historical glasses from an XAFS perspective. The results of various laboratory leaching experiments at different timescales (30 days to 12 years) are compared with results for historical glasses that were weathered by atmospheric gases and soil waters over 500 to 3000 years. Good agreement is found between laboratory experiments and slowly leached historical glasses, with a strong enrichment of metals at the water/gel interface. Depending on the nature of the transition elements originally dissolved in the melt, increasing elemental distributions are expected to increase with time for a given glass durability context.

Two facilities for storing spent nuclear fuel underwater at the Hanford site in southeastern Washington State are being removed from service, decommissioned, and prepared for eventual demolition. The fuel-storage facilities consist of two separate basins called K East (KE) and K West (KW) that are large subsurface concrete pools filled with water, with a containment structure over each. The basins presently contain sludge, debris, and equipment that have accumulated over the years. The spent fuel has been removed from the basins. The process for removing the remaining sludge, equipment, and structure has been initiated for the basins. Ongoing removal operations generate solid waste that is being treated as required, and then disposed. The waste, equipment and building structures must be characterized to properly manage, ship, treat (if necessary), and dispose as radioactive waste. As the work progresses, it is expected that radiological conditions in each basin may change as radioactive materials are being moved within and between the basins. It is imperative that these changing conditions be monitored so that radioactive characterization of waste is adjusted as necessary.

Yucca Mountain, Nevada is being investigated as the proposed site for geologic disposal of high level nuclear waste. A massive data collection effort for characterization of the unsaturated zone is being carried out at the site. The USGS is monitoring the subsurface pressure variations due to barometric pumping in several boreholes. Numerical models are used to simulate the observed subsurface pressure variations. Data inversion is used to characterize the unsaturated system and estimate the pneumatic diffusivity of important geologic features. Blind predictions of subsurface response and subsequent comparison to recorded data have built confidence in the models of Yucca Mountain.

None

A pilot-scale field experiment has been conducted since 1990 to test the effectiveness of microbial volatilization in removing selenium (Se) from soils contaminated with agricultural drainage water. The experiment, in which only irrigation and aeration were employed to enhance microbial processes, was designed to measure all major Se fluxes, including not only selenium loss via volatilization, but also advection with infiltrating rainwater, evapotranspirative transport, and plant uptake. The goal was to account for the total Se mass balance and address questions as to the significance of microbial volatilization relative to other fluxes. Although data collected from 1990 to 1994 showed decreases of Se concentrations in the top soil, subsequent data demonstrated that advective Se fluxes due to rainwater infiltration and evapotranspiration are largely responsible for the observed changes. Se volatilization was measured to account for an annual loss of only about 1%, with volatilization rates decreasing significantly with time, presumably due to the depletion of soil organic carbon. The integrated results of this project demonstrate the advantages and even necessity of an inter-disciplinary and multi-phase approach to evaluating the effectiveness of bioremediation strategies. Extreme caution needs to be taken in interpreting early results; long-term data collection and follow-up are indispensable.

The data acquired in the Parkfield, California experiment are unique and they are producing results that force a new look at some conventional concepts and models for earthquake occurrence and fault-zone dynamics. No fault-zone drilling project can afford to neglect installation of such a network early enough in advance of the fault-zone penetration to have a well-defined picture of the seismicity details (probably at least 1000 microearthquakes--an easy 2-3 year goal for the M<0 detection of a borehole network). Analyses of nine years of Parkfield monitoring data have revealed significant and unambiguous departures from stationarity both in the seismicity characteristics and in wave propagation details within the S-wave coda for paths within the presumed M6 nucleation zone where we also have found a high Vp/Vs anomaly at depth, and where the three recent M4.7-5.0 sequences have occurred. Synchronous changes well above noise levels have also been seen among several independent parameters, including seismicity rate, average focal depth, S-wave coda velocities, characteristic sequence recurrence intervals, fault creep and water levels in monitoring wells. The significance of these findings lies in their apparent coupling and inter-relationships, from which models for fault-zone process can be fabricated and tested with time. The more general …

In this paper, we consider an approach for estimating the effective hydraulic conductivity of a 3D medium with a binary distribution of local hydraulic conductivities. The medium heterogeneity is represented by a combination of matrix medium conductivity with spatially distributed sets of inclusions. Estimation of effective conductivity is based on a self-consistent approach introduced by Shvidler (1985). The tensor of effective hydraulic conductivity is calculated numerically by using a simple system of equations for the main diagonal elements. Verification of the method is done by comparison with theoretical results for special cases and numerical results of Desbarats (1987) and our own numerical modeling. The method was applied to estimating the effective hydraulic conductivity of a 2D and 3D fractured porous medium. The medium heterogeneity is represented by a combination of matrix conductivity and a spatially distributed set of highly conductive fractures. The tensor of effective hydraulic conductivity is calculated for parallel- and random-oriented sets of fractures. The obtained effective conductivity values coincide with Romm's (1966) and Snow's (1969) theories for infinite fracture length. These values are also physically acceptable for the sparsely-fractured-medium case with low fracture spatial density and finite fracture length. Verification of the effective hydraulic conductivity obtained for …

The {eta}{sub b} (1S) is the J{sup PC} = 0{sup {-+}} b{bar b} ground state, and has not yet been experimentally observed. Theorists have recently suggested that it could be observed at the Fermilab Tevatron through its decay to J/{psi}J/{psi}, if not in the 1992-96 (''Run 1'') dataset, then in Run 2. This article describes a search for this particle at CDF in Run 1 using this decay channel. A small cluster is seen, with 7 events where 1.8 events are expected from background. The statistical significance is estimated to be 2.2{sigma}, and an upper limit is set on the product of cross section and branching fractions.

It is reported that lattice imaging with a 300 kV field emission microscope in combination with numerical reconstruction procedures can be used to reach an interpretable resolution of about 80 pm for the first time. A retrieval of the electron exit wave from focal series allows for the resolution of single atomic columns of the light elements carbon, nitrogen, and oxygen at a projected nearest neighbor spacing down to 85 pm. Lens aberrations are corrected on-line during the experiment and by hardware such that resulting image distortions are below 80 pm. Consequently, the imaging can be aberration-free to this extent. The resolution enhancement results from increased electrical and mechanical stability's of the instrument coupled with a low spherical aberration coefficient of 0.595 + 0.005 mm.