Although its value varies with the microstructure, hysteresis always accompanies hydride formation and decomposition in Pd(pure)-H, e.g., it is present even in nano-crystalline and thin films. Internal oxidation of Pd0.93Cr0.07 alloys leads to a pure Pd matrix containing nano-crystalline chromia precipitates. The characteristic hysteresis of Pd-H almost disappears in this form of Pd. The reasons for this are discussed. Hysteresis is an almost universal feature of first order solid state transitions. Its presence means that when such a transition is reversed, it follows a different path than that taken in the forward direction leading to a loss of useful work. Hysteresis is, of course, a reflection of the irreversibility of the transition.

We measured the nondipole parameters for the spin-orbit doublets Xe 4d{sub 5/2} and Xe 4d{sub 3/2} over a photon-energy range from 100 eV to 250 eV at beamline 8.0.1.3 of the Advanced Light Source at the Lawrence Berkeley National Laboratory. Significant nondipole effects are found at relatively low energies as a result of Cooper minima in dipole channels and interchannel coupling in quadrupole channels. Most importantly, sharp disagreement between experiment and theory, when otherwise excellent agreement was expected, has provided the first evidence of satellite two-electron quadrupole photoionization transitions, along with their crucial importance for a quantitatively accurate theory.

Parameters required for the pepperpot scraper are described, and its data processing is proposed.

We discuss recent results from global electroweak fits and from the Tevatron and review the motivation for physics at the TeV energy scale.

Spin-orbit interaction in the 5f states is believed to strongly influence exotic behaviors observed in actinides metals and compounds. Understanding these interactions and how they relate to the actinide series is of considerable importance. To address this issue, the branching ratio of the white-line peaks of the N4,5 edges for the light actinide metals, {alpha}-Th, {alpha}-U, and {alpha}-Pu were recorded using electron energy-loss spectroscopy (EELS) in a transmission electron microscope (TEM) and synchrotron-radiation-based x-ray absorption spectroscopy (XAS). Using the spin-orbit sum rule and the branching ratios from both experimental spectra and many-electron atomic spectral calculations, accurate values of the spin-orbit interaction, and thus the relative occupation of the j = 5/2 and 7/2 levels, are determined for the actinide 5f states. Results show that the spin-orbit sum rule works very well with both EELS and XAS spectra, needing little or no correction. This is important, since the high spatial resolution of a TEM can be used to overcome the problems of single crystal growth often encountered with actinide metals, allowing acquisition of EELS spectra, and subsequent spin-orbit analysis, from nm-sized regions. The relative occupation numbers obtained by our method have been compared with recent theoretical results and show a good …

A regenerating biochemical mixture and organic surfactant has been applied to wells in the East Texas Field with the goal of restoring permeability, reversing formation damage, mobilizing hydrocarbons, and ultimately increasing production. Initial work in task 1 was designed to open the perforations and remove blockages of scale, asphaltene, and other corrosion debris. This was accomplished on three wells that produce from the Woodbine, and was necessary to prepare the wells for more substantial future treatments. Secondly, in task 2, two wells were treated with much larger quantities of the biochemical mixture, e.g. 25 gallons, followed by approximately 140 barrels of a 2% KCl solution that carried the active biochemical solution into the near wellbore area and into the producing reservoir. After a 7 to 10 day acclamation and reaction period, the wells were put back into production. The biochemical solution successfully broke down the scale, paraffin and other binders blocking permeability and released significant debris which was immediately produced into the flowlines and separators. Oil production was clearly improved and the removed debris was a maintenance issue until the surface equipment could be modified. Next steps include larger treatments and tracer tests to better understand the fluid flow dynamics.

SRTC personnel are developing a technique that can determine the concentration of tetraphenylborate (TPB) at 300 grams in 100,000 gallons of salt solution (0.8 mg/L) in the presence of0.378 Ci/gal of Cs-137. The current High Performance Liquid Chromatography (HPLC) method of analysis can determine the TPB concentration at 5 mg/L and higher. The limit of quantitation was lowered by modification of the sample preparation steps. The HPLC sample preparation method currently used requires neutralization of the tank waste sample followed by extraction with acetonitrile. This method dilutes the tank waste sample 6.5 to 1 increasing the limit of quantitation. The method described in this report concentrates the sample two-fold lowering the limit of quantitation from 5 mg/L to 0.25mg/L. Researchers used solvent extraction of undiluted tank waste to isolate, and concentrate (two-fold) samples of tank supernate and Plant Inhibited Water (PIW) that simulated tank supernate at the cesium level of approximately 0.3 Ci/gal. The 137Cs content in the tank supernate measured 0.65 Ci/gal prior to a two-fold dilution with PIW. The concentration of the TPB was determined by HPLC on a reversed-phase HPLC column using methanol, acetonitrile, and buffered water as the mobile phase. Important Findings: The 0.8 mg/L quantitation …

Cellular senescence suppresses cancer by arresting cells at risk for malignant tumorigenesis. However, senescent cells also secrete molecules that can stimulate premalignant cells to proliferate and form tumors, suggesting the senescence response is antagonistically pleiotropic. We show that premalignant mammary epithelial cells exposed to senescent human fibroblasts in mice irreversibly lose differentiated properties, become invasive and undergo full malignant transformation. Moreover, using cultured mouse or human fibroblasts and non-malignant breast epithelial cells, we show that senescent fibroblasts disrupt epithelial alveolar morphogenesis, functional differentiation, and branching morphogenesis. Further, we identify MMP-3 as the major factor responsible for the effects of senescent fibroblasts on branching morphogenesis. Our findings support the idea that senescent cells contribute to age-related pathology, including cancer, and describe a new property of senescent fibroblasts--the ability to alter epithelial differentiation--that might also explain the loss of tissue function and organization that is a hallmark of aging.

We demonstrate single-shot x-ray laser induced time-of-flight photoelectron spectroscopy on metal and semiconductor surfaces with picosecond time resolution. The LLNL COMET compact tabletop x-ray laser source provides the necessary high photon flux (>10{sup 12}/pulse), monochromaticity, picosecond pulse duration, and coherence for probing ultrafast changes in the chemical and electronic structure of these materials. Static valence band and shallow core-level photoemission spectra are presented for ambient temperature polycrystalline Cu foils and Ge(100). Surface contamination was removed by UV ozone cleaning prior to analysis. The ultrafast nature of this technique lends itself to true single-state measurements of shocked and heated materials.

A wide variety of seismic methods covering the spectrum from DC to kilohertz have been employed at one time or the other in geothermal environments. The reasons have varied from exploration for a heat source to attempting to find individual fractures producing hot fluids. For the purposes here we will assume that overall objective of seismic imaging is for siting wells for successful location of permeable pathways (often fracture permeability) that are controlling flow and transport in naturally fractured reservoirs. The application could be for exploration of new resources or for in-fill/step-out drilling in existing fields. In most geothermal environments the challenge has been to separate the ''background'' natural complexity and heterogeneity of the matrix from the fracture/fault heterogeneity controlling the fluid flow. Ideally one not only wants to find the fractures, but the fractures that are controlling the flow of the fluids. Evaluated in this work is current state-of-the-art surface (seismic reflection) and borehole seismic methods (Vertical Seismic Profiling (VSP), Crosswell and Single Well) to locate and quantify geothermal reservoir characteristics. The focus is on active methods; the assumption being that accuracy is needed for successful well siting. Passive methods are useful for exploration and detailed monitoring for in-fill …

This report discusses the accomplishments of the environmental protection program at Argonne National Laboratory-East (ANL-E) for calendar year 2002. The status of ANL-E environmental protection activities with respect to the various laws and regulations that govern waste handling and disposal is discussed, along with the progress of environmental corrective actions and restoration projects. To evaluate the effects of ANL-E operations on the environment, samples of environmental media collected on the site, at the site boundary, and off the ANL-E site were analyzed and compared with applicable guidelines and standards. A variety of radionuclides were measured in air, surface water, on-site groundwater, and bottom sediment samples. In addition, chemical constituents in surface water, groundwater, and ANL-E effluent water were analyzed. External penetrating radiation doses were measured, and the potential for radiation exposure to off-site population groups was estimated. Results are interpreted in terms of the origin of the radioactive and chemical substances (i.e., natural, fallout, ANL-E, and other) and are compared with applicable environmental quality standards. A U.S. Department of Energy dose calculation methodology, based on International Commission on Radiological Protection recommendations and the U.S. Environmental Protection Agency's CAP-88 (Clean Air Act Assessment Package-1988) computer code, was used in preparing this …

Hot gas particulate filtration is a basic component in advanced power generation systems such as Integrated Gasification Combined Cycle (IGCC) and Pressurized Fluidized Bed Combustion (PFBC). These systems require effective particulate removal to protect the downstream gas turbine and also to meet environmental emission requirements. The ceramic barrier filter is one of the options for hot gas filtration. Hot gases flow through ceramic candle filters leaving ash deposited on the outer surface of the filter. A process known as surface regeneration removes the deposited ash periodically by using a high pressure pulse of gas to back flush the filter. After this cleaning process has been completed there may be some residual ash on the filter surface. This residual ash may grow and this may then lead to mechanical failure of the filter. A Room Temperature Test Facility (RTTF) and a High Temperature Test Facility (HTTF) were built to investigate the ash characteristics during surface regeneration at room and selected high temperatures. The RTTF system was used to gain experience with the selected instrumentation and develop an operating procedure to be used later at elevated temperatures. The HTTF system is capable of conducting surface regeneration tests of a single candle filter …

In the process of backward Raman amplification (BRA), the leading layers of the seed laser pulse can shadow the rear layers, thus weakening the effective seeding power and affecting parameters of output pulses in BRA. We study this effect numerically and also analytically by approximating the pumped pulse by the ''*-pulse'' manifold of self-similar solutions. We determine how the pumped pulse projection moves within the *-pulse manifold, and describe quantitatively the effective seeding power evolution. Our results extend the quantitative theory of BRA to regimes where the effective seeding power varies substantially during the amplification. These results might be of broader interest, since the basic equations, are general equations for resonant 3-wave interactions.

OAK A271 Hydroacoustic Studies Using HydroCAM - Station-centric Integration of Models and Observations Quarterly Report No. 3 April 2003 - June 2003. BBN's work from April through June of 2003 was focused on the testing and release of HydroCAM 4.0, development of HydroCAM 4.1 software, continued data collection and analysis, and initial preparations for the 2003 Seismic Research Review. HydroCAM 4.0 was released and sent to DOE and AFTAC on June 9. This is the first release of new software on this contract. The code addresses the problems and issues that BBN and AFTAC had identified in the Fall of 2003. HydroCAM 4.1 is under development. A description of that development is shown in section 3.2. We continued our efforts to collect ground truth hydroacoustic data from sub-sea earthquakes in the Indian Ocean. To date, we have collected over 130 events. These data are recorded on the International Monitoring System stations at Diego Garcia and Cape Leeuwin. Finally, BBN submitted an abstract for the 2003 Seismic Research Review meeting. However, after discussions with Phil Harben at Lawrence Livermore Labs, we have decided to collaborate on one program-wide paper for the meeting.

Improved understanding of the plastic deformation of metals during high strain rate shock loading is key to predicting their resulting material properties. This paper presents the results of molecular dynamics simulations that identify the deformation modes of aluminum over a range of applied shear stresses and examines the interaction between dislocations and irradiation induced obstacles. These simulations show that while super-sonic dislocation motion can occur during impact loading, the finite dimensions of the materials render this motion transient. Larger applied loads do not stabilize supersonic dislocations, but instead lead an alternate deformation mode, namely twinning. Finally, the atomistic mechanisms that underlie the observed changes in the mechanical properties of metals as a function of irradiation are examined. Specifically, simulations of the interactions between moving edge dislocations and nanometer-sized helium bubbles provide insight into increases of the critical shear stresses but also reveal the effect of internal gas pressure on the deformation mode. The information gained in these studies provides fundamental insight into materials behavior, as well as important inputs for multi-scale models of materials deformation.

The primary goal of the research being conducted this summer is to investigate the role of initial conditions in the development of a two fluid mix driven by Rayleigh-Taylor instability. The effects of initial conditions will be studied through the use of experimental facilities located at the Buoyancy-Driven Mixing Lab at Texas A&M University and through high resolution direct numerical simulations of the experiment by the MIRANDA code developed at Lawrence Livermore National Lab. The Experimental Objectives are: (1) Analyze the early time development of a two fluid Rayleigh-Taylor driven mix between two miscible fluids at low Atwood numbers. (2) Quantify the initial conditions of the unstably stratified fluids by means of statistical mixing parameters and spectral analysis of the centerline density fluctuations. (3) Capture PLIF images of initial development of the flow for use in simulation setup. (Wayne Kraft) (4) Determine exactly what component of the experimental mixing data (position downstream from the splitter plate) most accurately represents the initial conditions of the experiment. The Simulation Objectives are: (1) Perform two dimensional and three dimensional simulations of the experimental setup. Analyze the results of these simulations for comparison to the experimental results. (2) Various methods of implementing the initial …

Layered substituted lithium manganese oxides suitable for use as lithium ion battery electrodes may be prepared from the corresponding sodium manganese metal oxide compounds by ion-exchange. Stacking arrangements (O2, O3, or O2/O3 intergrowths) in the lithiated materials are dependent upon the Na/transition metal ratio in the sodium-containing precursors, the degree of substitution, and the identity of the substituting metal. O3 layered materials deliver up to 200 mAh/g at moderate current densities in lithium cell configurations, but convert rapidly to spinels upon cell cycling, while O2 compounds are more stable but deliver less capacity. Intergrowths show intermediate behavior, with higher capacities than pure O2 materials and better phase stability than O3 compounds. Some intergrowth structures do not appear to convert to spinel during normal cycling, suggesting it may be possible to tailor high energy density, phase stable layered manganese oxide electrodes for lithium batteries.

Third harmonic hydrogen cyclotron fast wave heating studies are planned in the near term on CDX-U to investigate the potential for bulk ion heating. In preparation for these studies, the available radio-frequency power in CDX-U has been increased to 0.5 MW. The operating frequency of the CDX-U radio-frequency transmitter was lowered to operate in the range of 8-10 MHz, providing access to the ion harmonic range 2* {approx} 4* in hydrogen. A similar regime is accessible for the 30 MHz radio-frequency system on the National Spherical Torus Experiment (NSTX), at 0.6 Tesla in hydrogen. Preliminary computational studies over the plasma regimes of interest for NSTX and CDX-U indicate the possibility of strong localized absorption on bulk ion species.

The main objective of this research was to develop new computational tools for the simulation and analysis of plasticity and fracture mechanisms of fusion materials, and to assist in planning and assessment of corresponding radiation experiments.

The National Nuclear Security Administration (NNSA) Ground-Based Nuclear Explosion Monitoring Research and Engineering (GNEM R&E) Program at Lawrence Livermore National Laboratory (LLNL) has made significant progress populating a comprehensive Seismic Research Database (SRDB) used for deriving seismic calibration parameters for the Middle East, North Africa and Western Eurasia (ME/NA/WE) regions. In addition to an overview of select individual information products, we present an overview of our visualization, integration, validation, and organizational processes. Development of these processes and the LLNL SRDB was necessitated by both the very large amount of data and information involved (over 15 terabytes) and the varied data and research result formats utilized. The LLNL SRDB allows for the collection of raw and contextual seismic data used in research, provides an interface for researchers to access data, provides a framework to store research results and integrate datasets, and supports assembly, integration and dissemination of datasets to the NNSA Knowledge Base (KB). The LLNL SRDB is a flexible and extensible framework consisting of a relational database (RDB), Geographical Information System (GIS), and associated product/data visualization and data management tools. This framework is designed to accommodate large volumes of data in diverse formats from many sources (both in-house-derived research and …

The Gordon Research Conference (GRC) on Organometallic Chemistry was held at Salve Regina, Newport, Rhode Island, 7/21-26/02. Emphasis was placed on current unpublished research and discussion of the future target areas in this field.

We present preliminary results from a parameter study investigating the stability of underground structures in response to explosion-induced strong ground motions. In practice, even the most sophisticated site characterization may lack key details regarding precise joint properties and orientations within the rock mass. Thus, in order to place bounds upon the predicted behavior of a given facility, an extensive series of simulations representing different realizations may be required. The influence of both construction parameters (reinforcement, rock bolts,liners) and geological parameters (joint stiffness, joint spacing and orientation, and tunnel diameter to block size ratio) must be considered. We will discuss the distinct element method (DEM) with particular emphasis on techniques for achieving improved computational efficiency, including the handling of contact detection and approaches to parallelization. We also outline the continuum approaches we employ to obtain boundary conditions for the distinct element simulations. Finally, our DEM code is used to simulate dynamic loading of a generic subterranean facility in hardrock, demonstrating the suitability of the DEM for this application.

The detonation of an energetic material is the result of a complex interaction between kinetic chemical reactions and hydrodynamics. Unfortunately, little is known concerning the detailed chemical kinetics of detonations in energetic materials. CHEETAH uses rate laws to treat species with the slowest chemical reactions, while assuming other chemical species are in equilibrium. CHEETAH supports a wide range of elements and condensed detonation products and can also be applied to gas detonations. A sparse hash table of equation of state values, called the ''cache'' is used in CHEETAH to enhance the efficiency of kinetic reaction calculations. For large-scale parallel hydrodynamic calculations, CHEETAH uses MPI communication to updates to the cache. We present here details of the sparse caching model used in the CHEETAH. To demonstrate the efficiency of modeling using a sparse cache model we consider detonations in energetic materials.

To support evaluations of the direct disposal of Idaho National Engineering and Environmental Laboratory calcines to the repository at Yucca Mountain, an evaluation of the performance of the calcine in the repository environment must be performed. This type of evaluation demonstrates, through computer modeling and analysis, the impact the calcine would have on the ability of the repository to perform its function of containment of materials during the repository lifetime. This report discusses parameters that were used in the scoping evaluation conducted in FY 2003. It provides nominal values for the parameters, with explanation of the source of the values, and how the values were modified for use in repository analysis activities.