Raman scattering activities and Raman-active frequencies are reported for the minimum energy structure of azafullerene C{sub 48}N{sub 12} at the B3LYP/6-31G* level of theory. Analysis of the vibrational spectrum shows that the most intense IR and Raman bands are those associated with C-C vibrations, and that strong IR and Raman C-N vibrations occur below 1400 cm{sup -1}. Together with the recently reported infrared, optical absorption and x-ray spectroscopies, a complete identification of this cluster should now be feasible.

Engineering has simulation tools and experience in modeling forming processes. Y-12 personnel have expressed interest in validating our tools and experience against their manufacturing process activities such as rolling, casting, and forging etc. We have demonstrated numerical capabilities in a collaborative DOE/OIT project with ALCOA that is nearing successful completion. The goal was to use ALE3D to model Alcoa's slab rolling process in order to demonstrate a computational tool that would allow Alcoa to define a rolling schedule that would minimize the probability of ingot fracture, thus reducing waste and energy consumption. It is intended to lead to long-term collaboration with Y-12 and perhaps involvement with other components of the weapons production complex. Using simulations to aid in design of forming processes can: decrease time to production; reduce forming trials and associated expenses; and guide development of products with greater uniformity and less scrap.

This report is the second of two documents that examine the literature for actual examples of organizations and agencies that share communications resources. While the primary emphasis is on rural, intelligent transportation system (ITS) communications involving transit, examples will not be limited to rural activities, nor to ITS implementation, nor even to transit. In addition, the term ''communication'' will be broadly applied to include all information resources. The first document of this series, ''Shared Communications: Volume I. A Summary and Literature Review'', defines the meaning of the term ''shared communication resources'' and provides many examples of agencies that share resources. This document, ''Shared Communications: Volume II. In-Depth Systems Research'', reviews attributes that contributed to successful applications of the sharing communication resources concept. A few examples of each type of communication sharing are provided. Based on the issues and best practice realworld examples, recommendations for potential usage and recommended approaches for field operational tests are provided.

This paper provides a review of examples from the literature of shared communication resources and of agencies and/or organizations that share communication resources. The primary emphasis is on rural, intelligent transportation system communications involving transit. Citations will not be limited, however, to rural activities, or to ITS implementation, or even to transit. In addition, the term ''communication'' will be broadly applied to include all information resources. Literature references to issues that contribute to both successful and failed efforts at sharing communication resources are reviewed. The findings of this literature review indicate that: (1) The most frequently shared communication resources are information/data resources, (2) Telecommunications infrastructure and technologies are the next most frequently shared resources, (3) When resources are successfully shared, all parties benefit, (4) A few unsuccessful attempts of sharing resources have been recorded, along with lessons learned, (5) Impediments to sharing include security issues, concerns over system availability and reliability, service quality and performance, and institutional barriers, (6) Advantages of sharing include financial benefits to agencies from using shared resources and benefits to the public in terms of congestion mitigation, information transfer (e.g., traveler information systems), mobility (e.g., welfare-to-work paratransit), and safety (e.g., speed of incident response, incident avoidance), …

The Phase I program demonstrated feasibility of the RF circuit, periodic permanent magnet focusing and beam transport. Computer simulations indicate that the device should meet the goals of the program with the anticipated power and efficiency. The electron gun is currently under construction in another program, and the collector is a simple design based on existing technology.

Fracture spacing is a key hydrologic parameter in analyses of matrix diffusion. Although the individual fractures that transmit flow in the saturated zone (SZ) cannot be identified directly, it is possible to determine the fractured zones that transmit flow from flow meter survey observations. The fractured zones that transmit flow as identified through borehole flow meter surveys have been defined in this report as flowing intervals. The flowing interval spacing is measured between the midpoints of each flowing interval. The determination of flowing interval spacing is important because the flowing interval spacing parameter is a key hydrologic parameter in SZ transport modeling, which impacts the extent of matrix diffusion in the SZ volcanic matrix. The output of this report is input to the ''Saturated Zone Flow and Transport Model Abstraction'' (BSC 2004 [DIRS 170042]). Specifically, the analysis of data and development of a data distribution reported herein is used to develop the uncertainty distribution for the flowing interval spacing parameter for the SZ transport abstraction model. Figure 1-1 shows the relationship of this report to other model reports that also pertain to flow and transport in the SZ. Figure 1-1 also shows the flow of key information among the SZ …

The purpose of this model report is to document the drift scale radionuclide transport model, taking into account the effects of emplacement drifts on flow and transport in the vicinity of the drift, which are not captured in the mountain-scale unsaturated zone (UZ) flow and transport models ''UZ Flow Models and Submodels'' (BSC 2004 [DIRS 169861]), ''Radionuclide Transport Models Under Ambient Conditions'' (BSC 2004 [DIRS 164500]), and ''Particle Tracking Model and Abstraction of Transport Process'' (BSC 2004 [DIRS 170041]). The drift scale radionuclide transport model is intended to be used as an alternative model for comparison with the engineered barrier system (EBS) radionuclide transport model ''EBS Radionuclide Transport Abstraction'' (BSC 2004 [DIRS 169868]). For that purpose, two alternative models have been developed for drift-scale radionuclide transport. One of the alternative models is a dual continuum flow and transport model called the drift shadow model. The effects of variations in the flow field and fracture-matrix interaction in the vicinity of a waste emplacement drift are investigated through sensitivity studies using the drift shadow model (Houseworth et al. 2003 [DIRS 164394]). In this model, the flow is significantly perturbed (reduced) beneath the waste emplacement drifts. However, comparisons of transport in this perturbed …

This white paper summarizes the state of art of in-situ leaching of metals and minerals, and describes a new technology concept employing improved fragmentation of ores underground in order to prepare the ore for more efficient in-situ leaching, combined with technology to continuously improve solution flow patterns through the ore during the leaching process. The process parameters and economic benefits of combining the new concept with chemical and biological leaching are described. A summary is provided of the next steps required to demonstrate the technology with the goal of enabling more widespread use of in-situ leaching.

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The purpose of this report is to document the predictions and analyses performed using the seepage model for performance assessment (SMPA) for both the Topopah Spring middle nonlithophysal (Tptpmn) and lower lithophysal (Tptpll) lithostratigraphic units at Yucca Mountain, Nevada. Look-up tables of seepage flow rates into a drift (and their uncertainty) are generated by performing numerical simulations with the seepage model for many combinations of the three most important seepage-relevant parameters: the fracture permeability, the capillary-strength parameter 1/a, and the percolation flux. The percolation flux values chosen take into account flow focusing effects, which are evaluated based on a flow-focusing model. Moreover, multiple realizations of the underlying stochastic permeability field are conducted. Selected sensitivity studies are performed, including the effects of an alternative drift geometry representing a partially collapsed drift from an independent drift-degradation analysis (BSC 2004 [DIRS 166107]). The intended purpose of the seepage model is to provide results of drift-scale seepage rates under a series of parameters and scenarios in support of the Total System Performance Assessment for License Application (TSPA-LA). The SMPA is intended for the evaluation of drift-scale seepage rates under the full range of parameter values for three parameters found to be key (fracture permeability, …

It is shown that empirical relations between the charged lepton spectra and the quark spectra together with a bimaximal or near bimaximal neutrino mixing matrix necessarily imply that there is a contribution to |U{sub e3}| given by {theta}{sub C}/ 3{radical}2 {approx} {radical}(m{sub e}/2m{sub {mu}}) {approx} 0.052, where {theta}{sub C}is the Cabibbo angle. This prediction could be tested in the near future reactor experiments. The charged lepton mixing also generates a less robust prediction for the angle {theta}{sub 23} and a small contribution to the phase {delta}.

The work described in this grant report was focused mainly on the properties of novel magnetic intermetallics. In the first project, we synthesized several 2:17 intermetallic compounds, namely Nd{sub 2}Fe{sub 15}Si{sub 2}, Nd{sub 2}Fe{sub 15}Al{sub 2}, Nd{sub 2}Fe{sub 15}SiAl and Nd{sub 2}Fe{sub 15}SiMn, as well as several 1:12 intermetallic compounds, such as NdFe{sub 10}Si{sub 2}, NdFe{sub 10}Al{sub 2}, NdFe{sub 10}SiAl and NdFe{sub 10}MnAl. In the second project, seven compositions of Nd{sub x}Fe{sub 100-x-y}B{sub y} ribbons were prepared by a melt spinning method with Nd and B content increasing from 7.3 and 3.6 to 11 and 6, respectively. The alloys were annealed under optimized conditions to obtain a composite material consisting of the hard magnetic Nd{sub 2}Fe{sub 14}B and soft magnetic {alpha}-Fe phases, typical of a spring magnet structure. In the third project, intermetallic compounds of the type Zr{sub 1}Cr{sub 1}Fe{sub 1}T{sub 0.8} with T = Al, Co and Fe were subjected to hydrogenation. In the fourth project, we performed three crucial experiments. In the first experiment, we subjected a mixture of Fe{sub 3}O{sub 4} and Fe (80-20 wt %) to mechanochemical activation by high-energy ball milling, for time periods ranging from 0.5 to 14 hours. In the second experiment, we …

X-ray microscopy using magnetic linear dichroism of a zero-field-grown, multi-domain Co/LaFeO{sub 3} ferromagnet/antiferromagnet sample shows a local exchange bias of random direction and magnitude. A statistical analysis of the local bias of individual, micron-size magnetic domains demonstrates an increasing bias field with decreasing domain size as expected for a random distribution of pinned, uncompensated spins, which are believed to mediate the interface coupling. A linear dependence with the inverse domain diameter is found.

The Neutralized Transport Experiment (NTX) at Lawrence Berkeley National Laboratory has been designed to study the final focus and neutralization of high perveance ion beams for applications in heavy ion fusion (HIF) and high energy density physics (HEDP) experiments. Pre-formed plasmas in the last meter before the target of the scaled experiment provide a source of electrons which neutralize the ion current and prevent the space-charge induced spreading of the beam spot. NTX physics issues are discussed and experimental data is analyzed and compared with 3D particle-in-cell simulations. Along with detailed target images, 4D phase-space data of the NTX at the entrance of the neutralization region has been acquired. This data is used to provide a more accurate beam distribution with which to initialize the simulation. Previous treatments have used various idealized beam distributions which lack the detailed features of the experimental ion beam images. Simulation results are compared with NTX experimental measurements for 250 keV K{sup +} ion beams with dimensionless perveance of 1-7 x 10{sup -4}. In both simulation and experiment, the deduced beam charge neutralization is close to the predicted maximum value.

Shaped like a mailbox on wheels, it's been called a bioterrorism ''smoke detector.'' It can be found in transportation hubs such as airports and subways, and it may be coming to a location near you. Formally known as the Autonomous Pathogen Detection System, or APDS, this latest tool in the war on bioterrorism was developed at Lawrence Livermore National Laboratory to continuously sniff the air for airborne pathogens and toxins such as anthrax or plague. The APDS is the modern day equivalent of the canaries miners took underground with them to test for deadly carbon dioxide gas. But this canary can test for numerous bacteria, viruses, and toxins simultaneously, report results every hour, and confirm positive samples and guard against false positive results by using two different tests. The fully automated system collects and prepares air samples around the clock, does the analysis, and interprets the results. It requires no servicing or human intervention for an entire week. Unlike its feathered counterpart, when an APDS unit encounters something deadly in the air, that's when it begins singing, quietly. The APDS unit transmits a silent alert and sends detailed data to public health authorities, who can order evacuation and begin treatment …

This paper describes the solution to a unique and challenging mixture experiment design problem involving: (1) 19 and 21 components for two different parts of the design, (2) many single-component and multi-component constraints, (3) augmentation of existing data, (4) a layered design developed in stages, and (5) a no-candidate-point optimal design approach. The problem involved studying the liquidus temperature of spinel crystals as a function of nuclear waste glass composition. The statistical objective was to develop an experimental design by augmenting existing glasses with new nonradioactive and radioactive glasses chosen to cover the designated nonradioactive and radioactive experimental regions. The existing 144 glasses were expressed as 19-component nonradioactive compositions and then augmented with 40 new nonradioactive glasses. These included 8 glasses on the outer layer of the region, 27 glasses on an inner layer, 2 replicate glasses at the centroid, and one replicate each of three existing glasses. Then, the 144 + 40 = 184 glasses were expressed as 21-component radioactive compositions and augmented with 5 radioactive glasses. A D-optimal design algorithm was used to select the new outer layer, inner layer, and radioactive glasses. Several statistical software packages can generate D-optimal experimental designs, but nearly all require a set …

This document describes the U.S. Department of Energy's (DOE) Hanford Site environment. It is updated each year and is intended to provide a consistent description of the Hanford Site environment for the many National Environmental Policy Act (NEPA) documents being prepared by DOE contractors. No statements of significance or environmental consequences are provided. This year's report is the sixteenth revision of the original document published in 1988 and is (until replaced by the seventeenth revision) the only version that is relevant for use in the preparation of Hanford NEPA, State Environmental Policy Act (SEPA), and Comprehensive Environmental Response, Compensation, and Liability Act (CERCLA) documents. The two chapters included in this document (Chapters 4 and 6) are numbered to correspond to the chapters where such information is typically presented in environmental impact statements (Weiss) and other Hanford Site NEPA or CERCLA documentation. Chapter 4.0 (Affected Environment) describes Hanford Site climate and meteorology, geology, hydrology, ecology, cultural, archaeological, and historical resources, socioeconomics, occupational safety and health, and noise. Chapter 6.0 (Statutory and Regulatory Requirements) describes federal and state laws and regulations, DOE directives and permits, and presidential executive orders that are applicable to the NEPA documents prepared for Hanford Site activities.

Rapid deployment and the use of objective force aggressively reduce logistic footprints and replenishment demands. Maneuver Sustainment requires that Future Combat Systems be equipped with water systems that are lightweight, have small footprints, and are highly adaptable to a variety of environments. Technologies employed in these settings must be able to meet these demands. Lawrence Livermore National Laboratory has designed and previously field tested nano-engineered materials for the treatment of water. These materials have been either based on silica aerogel materials or consist of composites of these aerogels with granular activated carbon (GAC). Recent tests have proven successful for the removal of contaminants including uranium, hexavalent chromium, and arsenic. Silica aerogels were evaluated for their ability to purify water that had been spiked with the nerve agent VX (O-ethyl S-(2-diisopropylaminoethyl) methylphosphonothiolate). These results demonstrated that silica aerogels were able to remove the VX from the supply water and were nearly 30 times more adsorbent than GAC. This performance could result in REDUCING CHANGEOUT FREQUENCY BY A FACTOR OF 30 or DECREASING the VOLUME of adsorbent BY A FACTOR OF 30; thereby significantly reducing logistic footprints and replenishment demands. The use of the nano-engineered Silica Aerogel/GAC composites would provide a water …

The aim of this project is to extend accurate and patient-specific treatment planning to new treatment modalities, such as molecular targeted radiation therapy, incorporating previously crafted and proven Monte Carlo and deterministic computation methods. A flexible software environment is being created that allows planning radiation treatment for these new modalities and combining different forms of radiation treatment with consideration of biological effects. The system uses common input interfaces, medical image sets for definition of patient geometry, and dose reporting protocols. Previously, the Idaho National Engineering and Environmental Laboratory (INEEL), Montana State University (MSU), and Lawrence Livermore National Laboratory (LLNL) had accrued experience in the development and application of Monte Carlo-based, three-dimensional, computational dosimetry and treatment planning tools for radiotherapy in several specialized areas. In particular, INEEL and MSU have developed computational dosimetry systems for neutron radiotherapy and neutron capture therapy, while LLNL has developed the PEREGRINE computational system for external beam photon-electron therapy. Building on that experience, the INEEL and MSU are developing the MINERVA (Modality Inclusive Environment for Radiotherapeutic Variable Analysis) software system as a general framework for computational dosimetry and treatment planning for a variety of emerging forms of radiotherapy. In collaboration with this development, LLNL has extended …

There is significant motivation to provide robotic systems with improved autonomy as a means to significantly accelerate deactivation and decommissioning operations while also reducing the associated costs, removing human operators from hazardous environments, and reducing the required burden and skill of human operators. To achieve improved autonomy, fundamental research is focused on the challenges of developing visual servo controllers. The challenge in developing these controllers is that a camera provides 2-dimensional image information about the 3-dimensional Euclidean-space through a perspective (range dependent) projection that can be corrupted by uncertainty in the camera calibration matrix. Disturbances in this relationship (i.e., corruption in the sensor information) propagate erroneous information to the feedback controller of the robot, leading to potentially unpredictable task execution. This technical manual describes 3 proof-of-concept demonstrations of visual servo controllers developed from fundamental research aimed at these challenges. Specifically, one section describes the implementation of a cooperative visual servo control scheme with a camera-in-hand and a fixed camera to track a moving target despite uncertainty in the camera calibration and the unknown constant distance from the camera to a target where the camera is mounted on the end-effector of a 6 degrees-of-freedom hydraulic robot manipulator. The next section describes …

An imaging algorithm is presented based on the standard assumption that the total scattered field can be separated into an elastic component with monopole like dependence and an inertial component with a dipole like dependence. The resulting inversion generates two separate image maps corresponding to the monopole and dipole terms of the forward model. The complexity of imaging flaws and defects in layered elastic media is further compounded by the existence of high contrast gradients in either sound speed and/or density from layer to layer. To compensate for these gradients, we have incorporated Fermat's method of least time into our forward model to determine the appropriate delays between individual source-receiver pairs. Preliminary numerical and experimental results are in good agreement with each other.

The Evaluated Gamma-ray Activation File (EGAF), a new database of prompt and delayed neutron capture g-ray cross sections, has been prepared as part of an International Atomic Energy Agency (IAEA) Coordinated Research Project to develop a ''Database of Prompt Gamma-rays from Slow Neutron Capture for Elemental Analysis.'' Recent elemental g-ray cross-section measurements performed with the guided neutron beam at the Budapest Reactor have been combined with data from the literature to produce the EGAF database. EGAF contains thermal cross sections for {approx} 35,000 prompt and delayed g-rays from 262 isotopes. New precise total thermal radiative cross sections have been derived for many isotopes from the primary and secondary gamma-ray cross sections and additional level scheme data. An IAEA TECDOC describing the EGAF evaluation and tabulating the most prominent g-rays will be published in 2004. The TECDOC will include a CD-ROM containing the EGAF database in both ENSDF and tabular formats with an interactive viewer for searching and displaying the data. The Isotopes Project, Lawrence Berkeley National Laboratory continues to maintain and update the EGAF file. These data are available on the Internet from both the IAEA and Isotopes Project websites.