This report is a collection of documents written by the group members of the Engineering Sciences Research Foundation (ESRF), Laboratory Directed Research and Development (LDRD) project titled 'A Robust, Coupled Approach to Atomistic-Continuum Simulation'. Presented in this document is the development of a formulation for performing quasistatic, coupled, atomistic-continuum simulation that includes cross terms in the equilibrium equations that arise due to kinematic coupling and corrections used for the calculation of system potential energy to account for continuum elements that overlap regions containing atomic bonds, evaluations of thermo-mechanical continuum quantities calculated within atomistic simulations including measures of stress, temperature and heat flux, calculation used to determine the appropriate spatial and time averaging necessary to enable these atomistically-defined expressions to have the same physical meaning as their continuum counterparts, and a formulation to quantify a continuum 'temperature field', the first step towards constructing a coupled atomistic-continuum approach capable of finite temperature and dynamic analyses.

Waste characterization is probably the most costly part of radioactive waste management. An important part of this characterization is the measurements of headspace gas in waste containers in order to demonstrate the compliance with Resource Conservation and Recovery Act (RCRA) or transportation requirements. The traditional chemical analysis methods, which include all steps of gas sampling, sample shipment and laboratory analysis, are expensive and time-consuming as well as increasing worker's exposure to hazardous environments. Therefore, an alternative technique that can provide quick, in-situ, and real-time detections of headspace gas compositions is highly desirable. This report summarizes the results obtained from a Laboratory Directed Research & Development (LDRD) project entitled 'Potential Application of Microsensor Technology in Radioactive Waste Management with Emphasis on Headspace Gas Detection'. The objective of this project is to bridge the technical gap between the current status of microsensor development and the intended applications of these sensors in nuclear waste management. The major results are summarized below: {sm_bullet} A literature review was conducted on the regulatory requirements for headspace gas sampling/analysis in waste characterization and monitoring. The most relevant gaseous species and the related physiochemical environments were identified. It was found that preconcentrators might be needed in order for …

As part of DARPA Information Processing Technology Office (IPTO) Software for Distributed Robotics (SDR) Program, Sandia National Laboratories has developed analysis and control software for coordinating tens to thousands of autonomous cooperative robotic agents (primarily unmanned ground vehicles) performing military operations such as reconnaissance, surveillance and target acquisition; countermine and explosive ordnance disposal; force protection and physical security; and logistics support. Due to the nature of these applications, the control techniques must be distributed, and they must not rely on high bandwidth communication between agents. At the same time, a single soldier must easily direct these large-scale systems. Finally, the control techniques must be provably convergent so as not to cause undo harm to civilians. In this project, provably convergent, moderate communication bandwidth, distributed control algorithms have been developed that can be regulated by a single soldier. We have simulated in great detail the control of low numbers of vehicles (up to 20) navigating throughout a building, and we have simulated in lesser detail the control of larger numbers of vehicles (up to 1000) trying to locate several targets in a large outdoor facility. Finally, we have experimentally validated the resulting control algorithms on smaller numbers of autonomous vehicles.

Contaminant dispersal models for use at scales ranging from meters to miles are widely used for planning sensor locations, first-responder actions for release scenarios, etc. and are constantly being improved. Applications range from urban contaminant dispersal to locating buried targets from an exhaust signature. However, these models need detailed data for model improvement and validation. A small Sandia National Laboratories Laboratory Directed Research and Development (LDRD) program was funded in FY04 to examine the feasibility and usefulness of a scale-model capability for quantitative characterization of flow and contaminant dispersal in complex environments. This report summarizes the work performed in that LDRD. The basics of atmospheric dispersion and dispersion modeling are reviewed. We examine the need for model scale data, and the capability of existing model test methods. Currently, both full-scale and model scale experiments are performed in order to collect validation data for numerical models. Full-scale experiments are expensive, are difficult to repeat, and usually produce relatively sparse data fields. Model scale tests often employ wind tunnels, and the data collected is, in many cases, derived from single point measurements. We review the scaling assumptions and methods that are used to relate model and full scale flows. In particular, we …

The Delaware Basin Drilling Surveillance Program (DBDSP) is designed to monitor drilling activities in the vicinity of the Waste Isolation Pilot Plant (WIPP). This program is based on Environmental Protection Agency (EPA) requirements. The EPA environmental standards for the management and disposal of transuranic (TRU) radioactive waste are codified in 40 CFR Part 191 (EPA 1993). Subparts B and C of the standard address the disposal of radioactive waste. The standard requires the Department of Energy (DOE) to demonstrate the expected performance of the disposal system using a probabilistic risk assessment or performance assessment (PA). This PA must show that the expected repository performance will not release radioactive material above limits set by the EPA's standard. This assessment must include the consideration of inadvertent drilling into the repository at some future time.

An efficient inversion algorithm has been developed forthree-dimensional (3D) interpretations for single-hole electromagnetic(EM) logging data based on a modified extended Born approximation (MEBA)scheme. The single-hole data was collected at an oil field undergoing CO2injection in southern California using a tool, Geo-BILT, developed byElectromagnetic Instruments, Inc (EMI). The tool is equipped with amulti-component source, and an array of multi-component receivers atdifferent separations. The inversion result provides a reasonableelectrical conductivity image to a distance of 10 m from the well, andillustrates several zones with lateral conductivity variations that couldnot be resolved with traditional induction logging tools. The computercost of the inversion processes can be further reduced using a trivialmulti-grid methodology.

When residual range migration due to either real or apparent motion errors exceeds the range resolution, conventional autofocus algorithms fail. A new migration-correction autofocus algorithm has been developed that estimates the migration and applies phase and frequency corrections to properly focus the image.

With increased terrorist threats in the past few years, it is no longer feasible to feel confident that a facility is well protected with a static security system. Potential adversaries often research their targets, examining procedural and system changes, in order to attack at a vulnerable time. Such system changes may include scheduled sensor maintenance, scheduled or unscheduled changes in the guard force, facility alert level changes, sensor failures or degradation, etc. All of these changes impact the system effectiveness and can make a facility more vulnerable. Currently, a standard analysis of system effectiveness is performed approximately every six months using a vulnerability assessment tool called ASSESS (Analytical Systems and Software for Evaluating Safeguards and Systems). New standards for determining a facility's system effectiveness will be defined by tools that are currently under development, such as ATLAS (Adversary Time-line Analysis System) and NextGen (Next Generation Security Simulation). Although these tools are useful to model analyses at different spatial resolutions and can support some sensor dynamics using statistical models, they are limited in that they require a static system state as input. They cannot account for the dynamics of the system through day-to-day operations. The emphasis of this project was to …

Located in the northern Willamette River basin, Tualatin River National Wildlife Refuge (Refuge) was established in 1992 with an approved acquisition boundary to accommodate willing sellers with potentially restorable holdings within the Tualatin River floodplain. The Refuge's floodplain of seasonal and emergent wetlands, Oregon ash riparian hardwood, riparian shrub, coniferous forest, and Garry oak communities are representative of remnant plant communities historically common in the Willamette River valley and offer an opportunity to compensate for wildlife habitat losses associated with the Willamette River basin federal hydroelectric projects. The purchase of the Oleson Units as additions to the Refuge using Bonneville Power Administration (BPA) funds will partially mitigate for wildlife habitat and target species losses incurred as a result of construction and inundation activities at Dexter and Detroit Dams. Lands acquired for mitigation of Federal Columbia River Power System (FCRPS) impacts to wildlife are evaluated using the Habitat Evaluation Procedures (HEP) methodology, which quantifies how many Habitat Units (HUs) are to be credited to BPA. HUs or credits gained lessen BPA's debt, which was formally tabulated in the FCRPS Loss Assessments and adopted as part of the Northwest Power and Conservation Council's Fish and Wildlife Program as a BPA obligation (NWPCC, …

Multidimensional hydrodynamic properties of high-adiabat direct-drive plastic-shell implosions on the OMEGA laser system [T. R. Boehly et al., Opt. Commun. 133, 495 (1997)] are investigated using the multidimensional hydrodynamic code, DRACO. Multimode simulations including the effects of nonuniform illumination and target roughness indicate that shell stability during the acceleration phase plays a critical role in determining target performance. For thick shells that remain integral during the acceleration phase, target yields are significantly reduced by the combination of the long-wavelength ({ell} < 10) modes due to surface roughness and beam imbalance and the intermediate modes (20 {le} {ell} {le} 50) due to single-beam nonuniformities. The neutron-production rate for these thick shells truncates relative to one-dimensional (1-D) predictions. The yield degradation in the thin shells is mainly due to shell breakup at short wavelengths ({lambda} {approx} {Delta}, where {Delta} is the in-flight shell thickness). The neutron-rate curves for the thinner shells have significantly lower amplitudes and a fall-off that is less steep than 1-D rates. DRACO simulation results are consistent with experimental observations.

Description. Individual raw data streams from instrumentation at the Atmospheric Radiation Measurement (ARM) Program Climate Research Facility (ACRF) fixed and mobile sites are collected and sent to the Data Management Facility (DMF) at Pacific Northwest National Laboratory for processing in near real time. Raw and processed data are then sent daily to the ACRF Archive, where they are made available to users. For each instrument, we calculate the ratio of the actual number of data records received daily at the Archive to the expected number of data records. The results are tabulated by (1) individual data stream, site, and month for the current year and (2) site and fiscal year (FY) dating back to 1998. The United States Department of Energy requires national user facilities to report time-based operating data. The requirements concern the actual hours of operation (ACTUAL); the estimated maximum operation or uptime goal (OPSMAX), which accounts for planned downtime; and the VARIANCE [1 – (ACTUAL/OPSMAX)], which accounts for unplanned downtime. The annual OPSMAX time for the Southern Great Plains (SGP) site is 8,322 hours per year (0.95 × 8,760, the number hours in a year, not including leap year). The annual OPSMAX for the North Slope Alaska …

This study investigates the factors that lead countries into conflict. Specifically, political, social and economic factors may offer insight as to how prone a country (or set of countries) may be for inter-country or intra-country conflict. Largely methodological in scope, this study examines the literature for quantitative models that address or attempt to model conflict both in the past, and for future insight. The analysis concentrates specifically on the system dynamics paradigm, not the political science mainstream approaches of econometrics and game theory. The application of this paradigm builds upon the most sophisticated attempt at modeling conflict as a result of system level interactions. This study presents the modeling efforts built on limited data and working literature paradigms, and recommendations for future attempts at modeling conflict.

This report describes the selection of water compositions for the total system performance assessment (TSPA) model of results from the thermal-hydrological-chemical (THC) seepage model documented in ''Drift-Scale THC Seepage Model'' (BSC 2004 [DIRS 169856]). The selection has been conducted in accordance with ''Technical Work Plan for: Near-Field Environment and Transport: Coupled Processes (Mountain-Scale TH/THC/THM, Drift-Scale THC Seepage, and Post-Processing Analysis for THC Seepage) Report Integration'' (BSC 2004 [DIRS 171334]). This technical work plan (TWP) was prepared in accordance with AP-2.27Q, ''Planning for Science Activities''. Section 1.2.3 of the TWP describes planning information pertaining to the technical scope, content, and management of this report. The post-processing analysis for THC seepage (THC-PPA) documented in this report provides a methodology for evaluating the near-field compositions of water and gas around a typical waste emplacement drift as these relate to the chemistry of seepage, if any, into the drift. The THC-PPA inherits the conceptual basis of the THC seepage model, but is an independently developed process. The relationship between the post-processing analysis and other closely related models, together with their main functions in providing seepage chemistry information for the Total System Performance Assessment for the License Application (TSPA-LA), are illustrated in Figure 1-1. The …

The hidden-variable theorems of Bell and followers depend upon an assumption, namely the hidden-variable assumption, that conflicts with the precepts of quantum philosophy. Hence from an orthodox quantum perspective those theorems entail no faster-than-light transfer of information. They merely reinforce the ban on hidden variables. The need for some sort of faster-than-light information transfer can be shown by using counterfactuals instead of hidden variables. Shimony's criticism of that argument fails to take into account the distinction between no-faster-than-light connection in one direction and that same condition in both directions. The argument can be cleanly formulated within the framework of a fixed past, open future interpretation of quantum theory, which neatly accommodates the critical assumptions that the experimenters are free to choose which experiments they will perform. The assumptions are compatible with the Tomonaga-Schwinger formulation of quantum field theory, and hence with orthodox quantum precepts, and with the relativistic requirement that no prediction pertaining to an outcome in one region can depend upon a free choice made in a region spacelike-separated from the first.

The conventional vibrating machines used in processing plants have had undesirable high noise and vibration levels. They also have had unsatisfactorily low screening efficiency, high energy consumption, high maintenance cost, low productivity, and poor worker safety. These conventional vibrating machines have been used in most every processing plant. Most of the current material separation technology uses heavy and inefficient electric motors with an unbalance rotating mass to generate the shaking. In addition to being excessively noisy, inefficient, and high-maintenance, these vibrating machines are often the bottleneck in the entire process. Furthermore, these motors, along with the vibrating machines and supporting structure, shake other machines and structures in the vicinity. The latter increases maintenance costs while reducing worker health and safety. The conventional vibrating fine screens at taconite processing plants have had the same problems as those listed above. This has resulted in lower screening efficiency, higher energy and maintenance cost, and lower productivity and workers safety concerns. The focus of this work is on the design of a high performance screening machine suitable for taconite processing plants. SmartScreens{trademark} technology uses miniaturized motors, based on smart materials, to generate the shaking. The underlying technologies are Energy Flow Control{trademark} and Vibration Control …

The combination of lithography and self-assembly provides apowerful means of organizing solution-synthesized nanostructures for awide variety of applications. We have developed a fluidic assembly methodthat relies on the local pinning of a moving liquid contact line bylithographically produced topographic features to concentratenanoparticles at those features. The final stages of the assembly processare controlled first by long-range immersion capillary forces and then bythe short-range electrostatic and Van der Waal's interactions. We havesuccessfully assembled nanoparticles from 50 nm to 2 nm in size usingthis technique and have also demonstrated the controlled positioning ofmore complex nanotetrapod structures. We have used this process toassemble Au nanoparticles into pre-patterned electrode structures andhave performed preliminary electrical characterization of the devices soformed. The fluidic assembly method is capable of very high yield, interms of positioning nanostructures at each lithographically-definedlocation, and of excellent specificity, with essentially no particledeposition between features.

The effects of ionizing and neutron radiation on the characteristics and performance of laser diodes are reviewed, and the formation mechanisms for nonradiative recombination centers, the primary type of radiation damage in laser diodes, are discussed. Additional topics include the detrimental effects of aluminum in the active (lasing) volume, the transient effects of high-dose-rate pulses of ionizing radiation, and a summary of ways to improve the radiation hardness of laser diodes. Radiation effects on laser diodes emitting in the wavelength region around 808 nm are emphasized.

Wheat straw (Triticum aestivum L.) is an abundant source of plant fiber. It is regenerated, in large quantities, every year. At present, this potentially valuable resource is greatly under-exploited. Most of the excess straw biomass (i.e., tonnage above that required for agronomic cropping system sustainability) is managed through expensive chopping/tillage operations and/or burnt in the field following harvest, resulting in air pollution and associated health problems. Potential applications for wheat straw investigated within this project include energy and composites manufacture. Other methods of straw utilization that will potentially benefit from the findings of this research project include housing and building, pulp and paper, thermal insulation, fuels, and chemicals. This project focused on components of the feedstock assembly system for supplying a higher value small grains straw residue for (1) gasification/combustion and (2) straw-thermoplastic composites. This project was an integrated effort to solve the technological, infrastructural, and economic challenges associated with using straw residue for these bioenergy and bioproducts applications. The objective of the research is to contribute to the development of a low-capital distributed harvesting and engineered storage system for upgrading wheat straw to more desirable feedstocks for combustion and for straw-plastic composites. They investigated two processes for upgrading wheat …

Laboratory studies were conducted to investigate dry, regenerable, alkali carbonate-based sorbents for the capture of CO{sub 2} from power plant flue gas. Electrobalance, fixed-bed and fluid-bed reactors were used to examine both the CO{sub 2} capture and sorbent regeneration phases of the process. Sodium carbonate-based sorbents (calcined sodium bicarbonate and calcined trona) were the primary focus of the testing. Supported sodium carbonate and potassium carbonate sorbents were also tested. Sodium carbonate reacts with CO{sub 2} and water vapor contained in flue gas at temperatures between 60 and 80 C to form sodium bicarbonate, or an intermediate salt (Wegscheider's salt). Thermal regeneration of this sorbent produces an off-gas containing equal molar quantities of CO{sub 2} and H{sub 2}O. The low temperature range in which the carbonation reaction takes place is suited to treatment of coal-derived flue gases following wet flue gas desulfurization processes, but limits the concentration of water vapor which is an essential reactant in the carbonation reaction. Sorbent regeneration in an atmosphere of CO{sub 2} and water vapor can be carried out at a temperature of 160 C or higher. Pure CO{sub 2} suitable for use or sequestration is available after condensation of the H{sub 2}O. Flue gas contaminants …

This report describes both a general methodology and some specific examples of passive radio receivers. A passive radio receiver uses no direct electrical power but makes sole use of the power available in the radio spectrum. These radio receivers are suitable as low data-rate receivers or passive alerting devices for standard, high power radio receivers. Some zero-power radio architectures exhibit significant improvements in range with the addition of very low power amplifiers or signal processing electronics. These ultra-low power radios are also discussed and compared to the purely zero-power approaches.

Carbon dioxide (CO{sub 2}) injection into deep geologic formations could decrease the atmospheric accumulation of this gas from anthropogenic sources. Furthermore, by co-injecting H{sub 2}S or SO{sub 2}, the products respectively of coal gasification or combustion, with captured CO{sub 2}, problems associated with surface disposal would be mitigated. We developed models that simulate the co-injection of H{sub 2}S or SO{sub 2} with CO{sub 2} into an arkose formation at a depth of about 2 km and 75 C. The hydrogeology and mineralogy of the injected formation are typical of those encountered in Gulf Coast aquifers of the United States. Six numerical simulations of a simplified 1-D radial region surrounding the injection well were performed. The injection of CO{sub 2} alone or co-injection with SO{sub 2} or H{sub 2}S results in a concentrically zoned distribution of secondary minerals surrounding a leached and acidified region adjacent to the injection well. Co-injection of SO{sub 2} with CO{sub 2} results in a larger and more strongly acidified zone, and alteration differs substantially from that caused by the co-injection of H{sub 2}S or injection of CO{sub 2} alone. Precipitation of carbonates occurs within a higher pH (pH > 5) peripheral zone. Significant quantities of CO{sub …

Plasma oxidation was used to obtain radiocarbon dates on six different materials from a naturally mummified baby bundle from the Lower Pecos River region of southwest Texas. This bundle was selected because it was thought to represent a single event and would illustrate the accuracy and precision of the plasma oxidation method. Five of the materials were clearly components of the original bundle with 13 dates combined to yield a weighted average of 2135 {+-} 11 B.P. Six dates from a wooden stick of Desert Ash averaged 939 {+-} 14 B.P., indicating that this artifact was not part of the original burial. Plasma oxidation is shown to be a virtually non-destructive alternative to combustion. Because only sub-milligram amounts of material are removed from an artifact over its exposed surface, no visible change in fragile materials has been observed, even under magnification. The method is best applied when natural organic contamination is unlikely and serious consideration of this issue is needed in all cases. If organic contamination is present, it will have to be removed before plasma oxidation to obtain accurate radiocarbon dates.

Heavy ground vehicles, especially those involved in long-haul freight transportation, consume a significant part of our nation's energy supply. it is therefore of utmost importance to improve their efficiency, both to reduce emissions and to decrease reliance on imported oil. At highway speeds, more than half of the power consumed by a typical semi truck goes into overcoming aerodynamic drag, a fraction which increases with speed and crosswind. Thanks to better tools and increased awareness, recent years have seen substantial aerodynamic improvements by the truck industry, such as tractor/trailer height matching, radiator area reduction, and swept fairings. However, there remains substantial room for improvement as understanding of turbulent fluid dynamics grows. The group's research effort focused on vortex particle methods, a novel approach for computational fluid dynamics (CFD). Where common CFD methods solve or model the Navier-Stokes equations on a grid which stretches from the truck surface outward, vortex particle methods solve the vorticity equation on a Lagrangian basis of smooth particles and do not require a grid. They worked to advance the state of the art in vortex particle methods, improving their ability to handle the complicated, high Reynolds number flow around heavy vehicles. Specific challenges that they have …

The Lawrence Berkeley National Laboratory (Berkeley Lab) andthe Center for Sustainable Development in the Americas (CSDA) conductedtechnical studies and organized two training workshops to developcapacity in Central America for the evaluation of climate changeprojects. This paper describes the results of two baseline case studiesconducted for these workshops, one for the power sector and one for thecement industry, that were devised to illustrate certain approaches tobaseline setting. Multiproject baseline emission rates (BERs) for themain Guatemalan electricity grid were calculated from 2001 data. Inrecent years, the Guatemalan power sector has experienced rapid growth;thus, a sufficient number of new plants have been built to estimateviable BERs. We found that BERs for baseload plants offsetting additionalbaseload capacity ranged from 0.702 kgCO2/kWh (using a weighted averagestringency) to 0.507 kgCO2/kWh (using a 10th percentile stringency),while the baseline for plants offsetting load-followingcapacity is lowerat 0.567 kgCO2/kWh. For power displaced from existing load-followingplants, the rate is higher, 0.735 kgCO2/kWh, as a result of the age ofsome plants used for meeting peak loads and the infrequency of their use.The approved consolidated methodology for the Clean Development Mechanismyields a single rate of 0.753 kgCO2/kWh. Due to the relatively smallnumber of cement plants in the region and the regional nature of …