High-pressure x-ray diffraction of (Mg{sub 0.8}Fe{sub 0.2})O at room temperature reveals a discontinuity in the bulk modulus at 40 ({+-}5) GPa, similar pressure at which an electronic spin-pairing transition of Fe{sup 2+} is also observed. In the x-ray diffraction experiments the transition is completed only at 80 GPa, possibly reflecting lack of equilibration. Combining recent measurements, we document anomalies in the compression curve of Mg-rich magnesiowuestites that are manifestations of the spin transition. The best fit to a third order Birch-Murnaghan equation for the low-spin phase of magnesiowuestite with 17-20 mol% FeO yields bulk modulus K{sub T0} = 190 ({+-}150) GPa, pressure derivative ({partial_derivative}K{sub T}/{partial_derivative}){sub T0} = 4.6 ({+-}2.7) and unit-cell volume V{sub 0} = 71 ({+-}5) {angstrom}{sup 3}, consistent with past estimates of the ionic radius of octahedrally-coordinated low-spin Fe{sup 2+} in oxides. A sharp spin transition at lower-mantle depths between 1100 and 1900 km (40-80 GPa) would cause a unit-cell volume decrease ({Delta}{nu}{sub {phi}}) of 3.7 ({+-}0.8) to 2.0 ({+-}0.2) percent and bulk sound velocity increase ({Delta}{nu}{sub {phi}}) of 8.1 ({+-}6-1.7) percent ({nu}{sub {phi}} = {radical}K{sub s}/{rho}). Even in the absence of a visible seismic discontinuity, we expect the Fe-spin transition to imply a correction to current compositional …

We have developed a high-speed system for collecting x-ray fluorescence microprobe data, based on ASICs developed at BNL and high-speed processors developed by CSIRO. The system can collect fluorescence data in a continuous raster scan mode, and present elemental images in real time using Ryan's Dynamic Analysis algorithm. We will present results from a 32-element prototype array illustrating the concept. The final instrument will have 384 elements arranged in a square array around a central hole.

Membranes on solid supports offer an ideal format for imaging. Secondary ion mass spectrometry (SIMS) can be used to obtain composition information on membrane-associated components. Using the NanoSIMS50, images of composition variations in membrane domains can be obtained with a lateral resolution better than 100 nm. By suitable calibration, these variations in composition can be translated into a quantitative analysis of the membrane composition. Progress towards imaging small phase-separated lipid domains, membrane-associated proteins and natural biological membranes will be described.

A semiclassical IVR formulation using the Van-Vleck propagator has been used to calculate the flux correlation function and thereby reaction rate constants. This Van-Vleck formulation of the flux-flux correlation function is computationally as simple as the classical Wigner model. However unlike the latter, it has the ability to capture quantum interference/coherence effects. Classical trajectories are evolved starting from the dividing surface that separates reactants and products, and are evolved negatively in time. This formulation has been tested on model problems ranging from the Eckart barrier, double well to the collinear H + H{sub 2}.

Management and disposal of produced water is one of the most important problems associated with oil and gas (O&G) production. O&G production operations generate large volumes of brine water along with the petroleum resource. Currently, produced water is treated as a waste and is not available for any beneficial purposes for the communities where oil and gas is produced. Produced water contains different contaminants that must be removed before it can be used for any beneficial surface applications. Arid areas like west Texas produce large amount of oil, but, at the same time, have a shortage of potable water. A multidisciplinary team headed by researchers from Texas A&M University has spent more than six years is developing advanced membrane filtration processes for treating oil field produced brines The government-industry cooperative joint venture has been managed by the Global Petroleum Research Institute (GPRI). The goal of the project has been to demonstrate that treatment of oil field waste water for re-use will reduce water handling costs by 50% or greater. Our work has included (1) integrating advanced materials into existing prototype units and (2) operating short and long-term field testing with full size process trains. Testing at A&M has allowed us …

The formation and evolution of massive red galaxies form a crucial test of theories of galaxy formation based on hierarchical assembly. In this Letter we use observations of the clustering of luminous red galaxies from the Boötes field and N-body simulations to argue that about of the most luminous satellite galaxies appear to undergo merging or disruption within massive halos between and 0.5.

This cleanup verification package documents completion of removal actions for the 105-H Reactor Ancillary Support Areas, Below-Grade Structures, and Underlying Soils (subsite 118-H-6:2); 105-H Reactor Fuel Storage Basin and Underlying Soils (118-H-6:3); and Fuel Storage Basin Deep Zone Side Slope Soils. This CVP also documents remedial actions for the following seven additional waste sties: French Drain C (100-H-9), French Drain D (100-H-10), Expansion Box French Drain E (100-H-11), Expansion Box French Drain F (100-H-12), French Drain G (100-H-13), Surface Contamination Zone H (100-H-14), and the Polychlorinated Biphenyl Surface Contamination Zone (100-H-31).

In this study we compare the use of kinetic and equilibriumreaction models in the simulation of gas (methane) hydrate behavior inporous media. Our objective is to evaluate through numerical simulationthe importance of employing kinetic versus equilibrium reaction modelsfor predicting the response of hydrate-bearing systems to externalstimuli, such as changes in pressure and temperature. Specifically, we(1) analyze and compare the responses simulated using both reactionmodels for natural gas production from hydrates in various settings andfor the case of depressurization in a hydrate-bearing core duringextraction; and (2) examine the sensitivity to factors such as initialhydrate saturation, hydrate reaction surface area, and numericaldiscretization. We find that for large-scale systems undergoing thermalstimulation and depressurization, the calculated responses for bothreaction models are remarkably similar, though some differences areobserved at early times. However, for modeling short-term processes, suchas the rapid recovery of a hydrate-bearing core, kinetic limitations canbe important, and neglecting them may lead to significantunder-prediction of recoverable hydrate. The use of the equilibriumreaction model often appears to be justified and preferred for simulatingthe behavior of gas hydrates, given that the computational demands forthe kinetic reaction model far exceed those for the equilibrium reactionmodel.

Final report describing NEER research on Advanced Beta Dosimetry Techniques

The research project ''Nuclear Gamma-Ray Spectroscopy at the Limit of Particle Stability'' with sponsor ID ''DE-FG02-04ER41334'' started late-summer 2004 and aims at the investigation of highly excited low-spin states of selected key-nuclei in the vicinity of the particle separation threshold by means of high-resolution gamma-ray spectroscopy in electromagnetic excitation reactions. This work addresses nuclear structures with excitation energies close to the binding energy or highly excited off-yrast states in accordance with the NSAC milestones. In 2005 the program was extended towards additional use of virtual photons and theoretical description of the low-lying collective excitations in the well deformed nuclei.

Under the sponsorship of the U.S. DOE and DHS, we have recently developed a computational fluid dynamics (CFD) model for simulating airflow and dispersion of chemical/biological agents released in urban areas. Our model, FEM3MP, is based on solving the three-dimensional, time-dependent Navier-Stokes equations with appropriate physics submodels on massively parallel computer platforms. It employs finite-element discretization for effective treatment of complex geometries and a semi-implicit projection scheme for efficient time-integration. A simplified CFD approach, using both explicitly resolved and virtual buildings, was implemented to further improve the model's efficiency. Predictions from our model are continuously being verified against measured data from wind tunnel and field studies. Herein our model is further evaluated using observed data from IOPs (intensive operation periods) 3 and 9 of the Joint Urban 2003 field study conducted in Oklahoma City, Oklahoma, in July 2003. Our model predictions of wind and concentration fields in the near and intermediate regions, as well as profiles of wind speed, wind direction, friction velocity, and turbulent kinetic energy (TKE) in the urban wake region, are generally consistent with and compared reasonably well with field observations. In addition, our model was able to predict the observed split plume of IOP 3 and …

A bioreactor landfill cell with 1.2-acre footprint was constructed, filled, operated, and monitored at Northern Oaks Recycling and Disposal Facility (NORDF) at Harrison, MI. With a filled volume of 74,239 cubic yards, the cell contained approximately 35,317 tons of municipal solid waste (MSW) and 20,777 tons of cover soil. It was laid on the slope of an existing cell but separated by a geosynthetic membrane liner. After the cell reached a design height of 60 feet, it was covered with a geosynthetic membrane cap. A three-dimensional monitoring system to collect data at 48 different locations was designed and installed during the construction phase of the bioreactor cell. Each location had a cluster of monitoring devices consisting of a probe to monitor moisture and temperature, a leachate collection basin, and a gas sampling port. An increase in moisture content of the MSW in the bioreactor cell was achieved by pumping leachate collected on-site from various other cells, as well as recirculation of leachate from the bioreactor landfill cell itself. Three types of leachate injection systems were evaluated in this bioreactor cell for their efficacy to distribute pumped leachate uniformly: a leachate injection pipe buried in a 6-ft wide horizontal stone mound, …

A fracture within a porous background is modeled as a thin porous layer with increased compliance and finite permeability. For small layer thickness, a set of boundary conditions can be derived that relate particle velocity and stress across a fracture, induced by incident poroelastic waves. These boundary conditions are given via phenomenological parameters that can be used to examine and characterize the seismic response of a fracture. One of these parameters, here it is called membrane permeability, is shown through several examples to control the scattering amplitude of the slow P waves for very low-permeability fractures, which in turn controls the intrinsic attenuation of the waves.

We study top quark flavor violation in the framework of a warped extra dimension with the Standard Model (SM) fields propagating in the bulk. Such a scenario provides solutions to both the Planck-weak hierarchy problem and the flavor puzzle of the SM without inducing a flavor problem. We find that, generically, tcZ couplings receive a huge enhancement, in particular the right handed ones can be {Omicron}(1%). This results in BR (t {yields} cZ) at or above the sensitivity of the Large Hadron Collider (LHC). At the International Linear Collider (ILC), single top production, via e{sup +}e{sup -} {yields} t{bar c}, can be a striking signal for this scenario. In particular, it represents a physics topic of critical importance that can be explored even with a relatively low energy option, close to the tc threshold. At both the LHC and the ILC, angular distributions can probe the above prediction of dominance of right-handed couplings.

This report supplies the information obtained during drilling, characterization, and installation of the new groundwater monitoring well. This document also provides a compilation of hydrogeologic and well construction information obtained during drilling, well development, and sample collection/analysis activities.

Large dihydrogen phosphate (KDP) crystals are grown in large crystallizers to provide raw material for the manufacture of optical components for large laser systems. It is a challenge to grow crystal with sufficient mass and geometric properties to allow large optical plates to be cut from them. In addition, KDP has long been the canonical solution crystal for study of growth processes. To assist in the production of the crystals and the understanding of crystal growth phenomena, analysis of growth habits of large KDP crystals has been studied, small scale kinetic experiments have been performed, mass transfer rates in model systems have been measured, and computational-fluid-mechanics tools have been used to develop an engineering model of the crystal growth process. The model has been tested by looking at its ability to simulate the growth of nine KDP boules that all weighed more than 200 kg.

This paper investigates how critical-peak pricing (CPP)affects households with different usage and income levels, with the goalof informing policy makers who are considering the implementation of CPPtariffs in the residential sector. Using a subset of data from theCalifornia Statewide Pricing Pilot of 2003-2004, average load changeduring summer events, annual percent bill change, and post-experimentsatisfaction ratings are calculated across six customer segments,categorized by historical usage and income levels. Findings show thathigh-use customers respond significantly more in kW reduction than dolow-use customers, while low-use customers save significantly more inpercentage reduction of annual electricity bills than do high-usecustomers results that challenge the strategy of targeting only high-usecustomers for CPP tariffs. Across income levels, average load and billchanges were statistically indistinguishable, as were satisfaction ratesresults that are compatible with a strategy of full-scale implementationof CPP rates in the residential sector. Finally, the high-use customersearning less than $50,000 annually were the most likely of the groups tosee bill increases about 5 percent saw bill increases of 10 percent ormore suggesting that any residential CPP implementation might considertargeting this customer group for increased energy efficiencyefforts.

Calcium phosphates are the mineral component of bones and teeth. As such there is great interest in understanding the physical mechanisms that underlie their growth, dissolution, and phase stability. Control is often achieved at the cellular level by the manipulation of solution states and the use of crystal growth modulators such as peptides or other organic molecules. This chapter begins with a discussion of solution speciation in body fluids and relates this to important crystal growth parameters such as the supersaturation, pH, ionic strength and the ratio of calcium to phosphate activities. We then discuss the use of scanning probe microscopy as a tool to measure surface kinetics of mineral surfaces evolving in simplified solutions. The two primary themes that we will touch on are the use of microenvironments that temporally evolve the solution state to control growth and dissolution; and the use of various growth modifiers that interact with the solution species or with mineral surfaces to shift growth away from the lowest energy facetted forms. The study of synthetic minerals in simplified solution lays the foundation for understand mineralization process in more complex environments found in the body.

Maintenance of apico-basal polarity in normal breast epithelial acini requires a balance between cell proliferation, cell death, and proper cell-cell and cell-extracellular matrix signaling. Aberrations in any of these processes can disrupt tissue architecture and initiate tumor formation. Here we show that the small GTPase Rap1 is a crucial element in organizing acinar structure and inducing lumen formation. Rap1 activity in malignant HMT-3522 T4-2 cells is appreciably higher than in S1 cells, their non-malignant counterparts. Expression of dominant-negative Rap1 resulted in phenotypic reversion of T4-2 cells, led to formation of acinar structures with correct apico-basal polarity, and dramatically reduced tumor incidence despite the persistence of genomic abnormalities. The resulting acini contained prominent central lumina not observed when other reverting agents were used. Conversely, expression of dominant-active Rap1 in T4-2 cells inhibited phenotypic reversion and led to increased invasiveness and tumorigenicity. Thus, Rap1 acts as a central regulator of breast architecture, with normal levels of activation instructing apical polarity during acinar morphogenesis, and increased activation inducing tumor formation and progression to malignancy.

In recent years, semiconductor quantum dots have beenapplied with great advantage in a wide range of biological imagingapplications. The continuing developments in the synthesis of nanoscalematerials and specifically in the area of colloidal semiconductornanocrystals have created an opportunity to generate a next generation ofbiological labels with complementary or in some cases enhanced propertiescompared to colloidal quantum dots. In this paper, we report thedevelopment of rod shaped semiconductor nanocrystals (quantum rods) asnew fluorescent biological labels. We have engineered biocompatiblequantum rods by surface silanization and have applied them fornon-specific cell tracking as well as specific cellular targeting. Theproperties of quantum rods as demonstrated here are enhanced sensitivityand greater resistance for degradation as compared to quantum dots.Quantum rods have many potential applications as biological labels insituations where their properties offer advantages over quantumdots.

In this study we compare the use of kinetic and equilibriumreaction models in the simulation of gas (methane) hydrate behavior inporous media. Our objective is to evaluate through numerical simulationthe importance of employing kinetic versus equilibrium reaction modelsfor predicting the response of hydrate-bearing systems to externalstimuli, such as changes in pressure and temperature. Specifically, we(1) analyze and compare the responses simulated using both reactionmodels for natural gas production from hydrates in various settings andfor the case of depressurization in a hydrate-bearing core duringextraction; and (2) examine the sensitivity to factors such as initialhydrate saturation, hydrate reaction surface area, and numericaldiscretization. We find that for large-scale systems undergoing thermalstimulation and depressurization, the calculated responses for bothreaction models are remarkably similar, though some differences areobserved at early times. However, for modeling short-term processes, suchas the rapid recovery of a hydrate-bearing core, kinetic limitations canbe important, and neglecting them may lead to significantunder-prediction of recoverable hydrate. Assuming validity of the mostaccurate kinetic reaction model that is currently available, the use ofthe equilibrium reaction model often appears to be justified andpreferred for simulating the behavior of gas hydrates, given that thecomputational demands for the kinetic reaction model far exceed those forthe equilibrium reaction model.

This report describes a robust and generalized method for the clustering of various human breast cell lines in 3D and describes the preparation of cellular extracts from these cultures for molecular analysis.

The unique properties of the semiconductor ZnTeO were explored and developed to make multiband solar cells. Like a multijunction cell, multiband solar cells use different energy gaps to convert the majority of the solar spectrum to electrical current while minimizing losses due to heating. Unlike a multijunction cell, this is accomplished within a single material in a multiband cell. ZnTe{sub 1-x}O{sub x} films with x up to 2% were synthesized and shown to have the requisite unique band structure (2 conduction bands) for multiband function. Prototype solar cells based on an n-type ZnTe{sub 1-x}O{sub x} multiband top layer and a p-type ZnTe substrate were fabricated. Contacts to the cell and the series resistance of the substrate were identified as challenges for good electrical performance. Both photovoltage and small photocurrents were demonstrated under AMO illumination. A second semiconductor system, GaN{sub x}As{sub 1-y-x}P{sub y}, was shown to have multiband function. This alloy system may have the greatest potential to realize the promise of high efficiency multiband solar cells because of the relatively advanced technology base that exists for the manufacturing of III-V-alloy-based IC and opto-electronic devices (including multijunction solar cells).

Hanford TRU tank sludges are complex mixtures of undissolved minerals and salt solids in an aqueous phase of high ionic strength. They show complex rheological behavior resulting from interactions at the macroscopic level, such as interparticle friction between grains in the coarse fraction, as well as from interactions at the nano-scale level, such as the agglomeration of colloidal particles. An understanding of how phenomena such as interparticle friction and aggregate stability under shear will allow better control of Hanford TRU tank sludges being processed for disposal. The project described in this report had two objectives. The first was to understand the physical properties and behavior of the Hanford transuranic (TRU) tank sludges under conditions that might exist during retrieval, treatment, packaging, and transportation for disposal at the Waste Isolation Pilot Plant (WIPP). The second objective was to develop a fundamental understanding of sludge physical properties by correlating the macroscopic behavior with interactions occurring at the particle/colloidal scale. These objectives were accomplished by: 1) developing continuum models for coarse granular slurries and 2) studying the behavior of colloidal agglomerates under shear and under irradiation.