The aim of this project was to develop Synthetic High-Affinity Ligands (SHALs), which bind with high affinity and specificity to proteins of interest for national security and cancer therapy applications. The aim of producing synthetic ligands for sensory devices as an alternative to antibody-based detection assays and therapeutic agents is to overcome the drawbacks associated with antibody-based in next-generation sensors and systems. The focus area of the project was the chemical synthesis of the SHALs. The project concentrated on two different protein targets. (a) The C fragment of tetanus and botulinum toxin, potential biowarfare agents. A SHAL for tetanus or botulinum toxin would be incorporated into a sensory device for the toxins. (b) HLA-DR10, a protein found in high abundance on the surface of Non-Hodgkins Lymphoma. A SHAL specific to a tumor marker, labeled with a radionuclide, would enable the targeted delivery of radiation therapy to metastatic disease. The technical approach used to develop a SHAL for each protein target will be described in more detail below. However, in general, the development of a SHAL requires a combination of computational modeling techniques, modern nuclear magnetic resonance spectroscopy (NMR) and synthetic chemistry.

This project consists of two activities. Task A, Simulations and Measurements, combines all the material model development and associated numerical work with the materials-oriented experimental activities. The goal of this effort is to provide an improved understanding of dynamic material properties and to provide accurate numerical representations of those properties for use in analysis codes. Task B, ALE3D Development, involves general development activities in the ALE3D code with the focus of improving simulation capabilities for problems of mutual interest to DoD and DOE. Emphasis is on problems involving multi-phase flow, blast loading of structures and system safety/vulnerability studies.

This Technical Memorandum (TM) summarizes the accelerator and experiment operations for the period FY 2001 through FY 2003. The plan is to have an annual TM to gather such information in one place. In this case, the information concerns the startup of Run II at the Tevatron Collider and the beginning of the MiniBooNE neutrino experiment. While the focus is on the FY 2003 efforts, this document includes summaries of the earlier years where available for completeness.

The power point presentation for the Natural Gas Technologies II Conference held on February 8-11, 2004 in Phoenix AZ, published the presentations made at the conference, therefore required all presenters to submit their presentation prior to November 2003. However in the remainder of year, significant new test data became available which were incorporated in the actual presentation made at the Natural Gas Technologies II Conference. The 6th progress report presents the updated actual slide show used during the paper presentation by Richard Guiler.

This document reports on risk reduction activities performed at the VNL during CY2003 as a part of the Lith-343 actinic inspection project funded by International SEMATECH. The risk reduction activities described in this document comprise deliverable items 3.1.3, 3.1.4, 3.1.5 and 3.1.6 of Amendment 6 to the VNL EUV mask blank technology transfer contract.

In the next decades, oil exploration by majors and independents will increasingly be in remote, inaccessible areas, or in areas where there has been extensive shallow exploration but deeper exploration potential may remain; areas where the collection of data is expensive, difficult, or even impossible, and where the most efficient use of existing data can drive the economics of the target. The ability to read hydrocarbon chemistry in terms of subsurface migration processes by relating it to the evolution of the basin and fluid migration is perhaps the single technological capability that could most improve our ability to explore effectively because it would allow us to use a vast store of existing or easily collected chemical data to determine the major migration pathways in a basin and to determine if there is deep exploration potential. To this end a the DOE funded a joint effort between California Institute of Technology, Cornell University, and GeoGroup Inc. to assemble a representative set of maturity and maturation kinetic models and develop an advanced basin model able to predict the chemistry of hydrocarbons in a basin from this input data. The four year project is now completed and has produced set of public domain …

Frequency domain substructure synthesis is a modeling technique that enables the prediction of a combined response of individual structures using experimentally measured or numerically predicted frequency response functions (FRFs). The traditional synthesis algorithm [1,2] operates on component impedances and thus generally requires several matrix inversions. An improved algorithm, developed by Jetmundsen et al. [3], requires a single matrix inversion with a completely arbitrary interface definition that can easily incorporate connection impedances. The main limitations of the method are the large data requirements and sensitivity to data truncation. The utility of this technique is demonstrated through a comparison of synthesized and measured admittances of an edge-stiffened plate with attached equipment. The plate mobilities are obtained from a numerical analysis because of the ability to accurately model this structure using a finite element representation. The attachments are characterized experimentally because of their complexity. The sections describe the synthesis technique and show numerical and experimental results for the plate and equipment.

We explore the feasibility of using Feynman moments as attributes of fissile material in warhead authentication measurements. We present results of computer simulations of neutron correlation measurements to validate and inform the application of the method to measurements in an arms control scenario. We establish the robustness of the method for use in automated measuring equipment that protects classified or sensitive data using an information barrier. Drawing from our results, we define high-level requirements to govern the design process, and guide the construction of a prototype.

The original scope of work was to obtain and analyze existing and emerging data in four states: California, Florida, New York, and Wisconsin. The goal of this data collection was to deliver a baseline database or recommendations for such a database that could possibly contain window and daylighting features and energy performance characteristics of Kindergarten through 12th grade (K-12) school buildings (or those of classrooms when available). In particular, data analyses were performed based upon the California Commercial End-Use Survey (CEUS) databases to understand school energy use, features of window glazing, and availability of daylighting in California K-12 schools. The outcomes from this baseline task can be used to assist in establishing a database of school energy performance, assessing applications of existing technologies relevant to window and daylighting design, and identifying future R&D needs. These are in line with the overall project goals as outlined in the proposal. Through the review and analysis of this data, it is clear that there are many compounding factors impacting energy use in K-12 school buildings in the U.S., and that there are various challenges in understanding the impact of K-12 classroom energy use associated with design features of window glazing and skylight. First, …

The principal research effort for Year 1 of the project is data compilation and the determination of the tectonic and depositional histories of the North Louisiana Salt Basin. In the first three (3) to six (6) months of Year 1, the research focus is on data compilation and the remainder of the year the emphasis is on the tectonic and depositional histories of the basin. No major problems have been encountered to date, and the project is on schedule. The principal objectives of the project are to develop through basin analysis and modeling the concept that petroleum systems acting in a basin can be identified through basin modeling and to demonstrate that the information and analysis resulting from characterizing and modeling of these petroleum systems in the North Louisiana Salt Basin and the Mississippi Interior Salt Basin can be used in providing a more reliable and advanced approach for targeting stratigraphic traps and specific reservoir facies within a geologic system and in providing a refined assessment of undiscovered and underdeveloped reservoirs and associated oil and gas resources.

The principal research effort for Year 2 of the project is the determination of the burial and thermal maturation histories and basin modeling and petroleum system identification of the North Louisiana Salt Basin. In the first six (6) to nine (9) months of Year 2, the research focus is on the determination of the burial and thermal maturation histories and the remainder of the year the emphasis is on basin modeling and petroleum system identification. No major problems have been encountered to date, and the project is on schedule.

This report summarizes the work done on the project over the duration of the project, from October 1, 2002 through December 31, 2003, which includes a three month no-cost extension. Effort was directed in the following areas: (1) Fabrication of Sr-doped LaCoO3 (LSC) dense and porous samples. (2) Design and construction of a conductivity relaxation apparatus for the estimation of surface exchange coefficient, k{sub chem}, which depends on adsorption, and oxygen chemical diffusion coefficient, {tilde D}{sub 0}, the parameters which are thought to describe the cathodic activation polarization (overall charge transfer) in mixed ionic electronic conducting (MIEC) cathodes. (3) The measurement of and K{sub chem} and {tilde D}{sub 0} on LSC by conductivity relaxation, as a function of temperature and oxygen partial pressure, p{sub O{sub 2}}. (4) Fabrication of YSZ electrolyte discs with patterned LSM and LSC electrodes with three-phase boundary (TPB) length, l{sub TPB}, varying between 50 and 1200 cm{sup -1}. (5) The measurement of charge transfer resistance, R{sub ct}, and estimation of the charge transfer resistivity, {rho}{sub ct}, as a function of temperature and p{sub O{sub 2}}, and the incorporation of the adsorption step in the analysis. (6) Preliminary cell tests with oxidants having different inert gas diluents; …

Precipitation scavenging can effectively remove particulates from the atmosphere. Therefore, this process is of importance in the real-time modeling of atmospheric transport for hazardous materials. To account for the rainfall effect in LLNL operational dispersion model, a modified version of a standard below-cloud aerosol scavenging model has been developed to handle the emergency response in this scenario (Loosmore and Cerdewall, 2003, hereafter referred to as LC). Two types of rain data can be used to incorporate precipitation scavenging in the dispersion model; realtime measurements (rain gauge and radar), and model prediction. The former approach has been adopted in LC's study for the below-cloud scavenging problem based on the surface rain measurements. However, the in-cloud scavenging effect remains unresolved as a restriction of available real-time measurements in providing the vertical structure of precipitation systems. The objective of this study is to explore the possibility to incorporate three-dimensional precipitation structure of forecast data into the dispersion model. Therefore, both in-cloud and below-cloud scavenging effects can be included in LLNL aerosol scavenging model. To this end, a mesoscale model (Naval Research Laboratory 3-D weather forecast model, COAMPS) is used to demonstrate this application using a mid-west severe storm case occurring on July 18, …

The purpose of this analysis is to specify and document the total and respirable fractions for radioactive materials that could be potentially released from an accident at the repository involving commercial spent nuclear fuel (SNF) in a dry environment. The total and respirable release fractions are used to support the preclosure licensing basis for the repository. The total release fraction is defined as the fraction of total commercial SNF assembly inventory, typically expressed as an activity inventory (e.g., curies), of a given radionuclide that is released to the environment from a waste form. Radionuclides are released from the inside of breached fuel rods (or pins) and from the detachment of radioactive material (crud) from the outside surfaces of fuel rods and other components of fuel assemblies. The total release fraction accounts for several mechanisms that tend to retain, retard, or diminish the amount of radionuclides that are available for transport to dose receptors or otherwise can be shown to reduce exposure of receptors to radiological releases. The total release fraction includes a fraction of airborne material that is respirable and could result in inhalation doses; this subset of the total release fraction is referred to as the respirable release fraction. …

TRUMPET is a series of dynamic subcritical experiments planned for execution in the U1a.102D alcove of the U1a Complex at the Nevada Test Site (NTS). The location of LLNL drifts at the U1a Complex is shown in Figure 1. The data from the TRUMPET experiments will be used in the Stockpile Stewardship Program to assess the aging of nuclear weapons components and to better model the long-term performance of weapons in the enduring stockpile. The TRUMPET series of experiments will be conducted in an almost identical way as the OBOE series of experiments. Individual TRUMPET experiments will be housed in an experiment vessel, as was done for OBOE. These vessels are the same as those utilized for OBOE. All TRUMPET experiments will occur in the zero room in the U1a.102D alcove, which is on the opposite side of the U1a.102 drift from U1a.102C, which housed the OBOE experiments. The centerlines of these two alcoves are separated by only 10 feet. As with OBOE experiments, expended TRUMPET experiment vessels will be moved to the back of the alcove and entombed in grout. After the TRUMPET series of experiments is completed, another experiment will be sited in the U1a.102D alcove and it …

This report summarizes existing analytical data gleaned from samples taken from the Hanford tanks designated as potentially containing transuranic mixed process wastes. Process knowledge of the wastes transferred to these tanks has been reviewed to determine whether the dangerous waste characteristics now assigned to all Hanford underground storage tanks are applicable to these particular wastes. Supplemental technologies are being examined to accelerate the Hanford tank waste cleanup mission and accomplish waste treatment safely and efficiently. To date, 11 Hanford waste tanks have been designated as potentially containing contact-handled (CH) transuranic mixed (TRUM) wastes. The CH-TRUM wastes are found in single-shell tanks B-201 through B-204, T-201 through T-204, T-104, T-110, and T-111. Methods and equipment to solidify and package the CH-TRUM wastes are part of the supplemental technologies being evaluated. The resulting packages and wastes must be acceptable for disposal at the Waste Isolation Pilot Plant (WIPP). The dangerous waste characteristics being considered include ignitability, corrosivity, reactivity, and toxicity arising from the presence of 2,4,5-trichlorophenol at levels above the dangerous waste threshold. The analytical data reviewed include concentrations of sulfur, sulfate, cyanide, 2,4,5-trichlorophenol, total organic carbon, and oxalate; the composition of the tank headspace, pH, and mercury. Differential scanning calorimetry results …

Existing analytical data from samples taken from Hanford Tank 241-S-109, along with process knowledge of the wastes transferred to this tank, are reviewed to determine whether dangerous waste characteristics currently assigned to all waste in Hanford underground storage tanks are applicable to this tank waste. Supplemental technologies are examined to accelerate the Hanford tank waste cleanup mission and to accomplish the waste treatment in a safer and more efficient manner. The goals of supplemental technologies are to reduce costs, conserve double-shell tank space, and meet the scheduled tank waste processing completion date of 2028.

An option to dispose of the High Activity Waste (HAW) stream from the processing of unirradiated materials directly to Saltstone is being evaluated to conserve High Level Waste (HLW) tank farm space and to reduce the future production of HLW glass logs. To meet the Saltstone Waste Acceptance Criteria (WAC), decanting the supernate from precipitated solids was proposed to reduce mercury and radionuclide levels in the waste. Only the caustic supernate will then be sent to Saltstone. Verification that the Saltstone WAC will be met has involved a series of laboratory studies using surrogate and actual HAW solutions from H-Canyon. The initial experiment involved addition of sodium hydroxide (NaOH) to a surrogate HAW test solution and subsequent decanting of the supernate away from the precipitated solids. The chemical composition of the surrogate solution was based on a composition defined from analyses of actual HAW solutions generated during dissolution of unirradiated nuclear materials in H-Canyon [1]. Results from testing the surrogate HAW solution were reported in Reference [2]. Information obtained from the surrogate test solution study was used to define additional experiments on actual HAW solutions obtained from H-Canyon. These experiments were conducted with samples from three different batches of HAW …

OAK-135 Development and validation of constitutive models for polycrystalline materials subjected to high strain rate loading over a range of temperatures are needed to predict the response of engineering materials to in-service type conditions (foreign object damage, high-strain rate forging, high-speed sheet forming, deformation behavior during forming, response to extreme conditions, etc.). To account accurately for the complex effects that can occur during extreme and variable loading conditions, requires significant and detailed computational and modeling efforts. These efforts must be closely coupled with precise and targeted experimental measurements that not only verify the predictions of the models, but also provide input about the fundamental processes responsible for the macroscopic response. Achieving this coupling between modeling and experimentation is the guiding principle of this program. Specifically, this program seeks to bridge the length scale between discrete dislocation interactions with grain boundaries and continuum models for polycrystalline plasticity. Achieving this goal requires incorporating these complex dislocation-interface interactions into the well-defined behavior of single crystals. Despite the widespread study of metal plasticity, this aspect is not well understood for simple loading conditions, let alone extreme ones. Our experimental approach includes determining the high-strain rate response as a function of strain and temperature with …

China faces a significant challenge in the years ahead to continue to provide essential materials and products for a rapidly-growing economy while addressing pressing environmental concerns. Energy is a fundamental element of the national economy and the conditions of its use have a direct impact on China's ability to reach its sustainable development goals. China's industrial sector, which accounts for over 70 percent of the nation's total energy consumption each year, provides materials such as steel and cement that build the nation's roads, bridges, homes, offices and other buildings. Industrial products include bicycles, cars, buses, trains, ships, office equipment, appliances, furniture, packaging, pharmaceuticals, and many other components of everyday life in an increasingly modern society. This vital production of materials and products, however, comes with considerable problems. China's industrial sector is heavily dependent on the country's abundant, yet polluting, coal resources. Industrial production locally pollutes the air with emissions of particulates, carbon monoxide, sulfur dioxide, and nitrogen oxides, uses scarce water and oil resources, emits greenhouse gases contributing to the warming global atmosphere, and often produces hazardous and polluting wastes. Fostering innovative approaches to reduce the use of polluting energy resources and to diminish pollution from industrial production that are …

This report describes a site-response model and its implementation for developing earthquake ground motion input for preclosure seismic design and postclosure assessment of the proposed geologic repository at Yucca Mountain, Nevada. The model implements a random-vibration theory (RVT), one-dimensional (1D) equivalent-linear approach to calculate site response effects on ground motions. The model provides results in terms of spectral acceleration including peak ground acceleration, peak ground velocity, and dynamically-induced strains as a function of depth. In addition to documenting and validating this model for use in the Yucca Mountain Project, this report also describes the development of model inputs, implementation of the model, its results, and the development of earthquake time history inputs based on the model results. The purpose of the site-response ground motion model is to incorporate the effects on earthquake ground motions of (1) the approximately 300 m of rock above the emplacement levels beneath Yucca Mountain and (2) soil and rock beneath the site of the Surface Facilities Area. A previously performed probabilistic seismic hazard analysis (PSHA) (CRWMS M&O 1998a [DIRS 103731]) estimated ground motions at a reference rock outcrop for the Yucca Mountain site (Point A), but those results do not include these site response effects. …

Low density polyethylene (LDPE), copper (Cu), and gold (Au) tubes were scanned on KCAT to identify and evaluate the impact of phase effects on quantitative object recovery. These tubes are phantoms for high energy density capsules.[Logan, et al. 2004] Digital radiographs for each tube are shown in Figure 1. The LDPE tube was scanned at 60 kV, while the Cu and the Au tubes were scanned at 140 kV. All tubes were scanned at a magnification of 3, with approximately 100-mm distance between the exit plane of the tube and the scintillator. Notice the prominence of the outer bright and inner dark edges for the LDPE tube DR, and their absence from the Cu and Au tube DRs. The bright and dark edges are a result of change in phase of the x-rays. The x-ray fluence is partly attenuated and partly refracted. The location near the outer edge of the tube appears to be more attenuating since those x-rays have refracted to locations just outside the tube. Alternatively, the added counts from the refraction result in intensities that are greater than the incident intensity effectively representing a ''negative attenuation''. This results in more counts in that location than in the …

Argonne National Laboratory's efforts toward researching, proposing and then building a high-energy proton accelerator have been discussed in a handful of studies. In the main, these have concentrated on the intense maneuvering amongst politicians, universities, government agencies, outside corporations, and laboratory officials to obtain (or block) approval and/or funds or to establish who would have control over budgets and research programs. These ''top-down'' studies are very important but they can also serve to divorce such proceedings from the individuals actually involved in the ground-level research which physically served to create theories, designs, machines, and experiments. This can lead to a skewed picture, on the one hand, of a lack of effect that so-called scientific and technological factors exert and, on the other hand, of the apparent separation of the so-called social or political from the concrete practice of doing physics. An exception to this approach can be found in the proceedings of a conference on ''History of the ZGS'' held at Argonne at the time of the Zero Gradient Synchrotron's decommissioning in 1979. These accounts insert the individuals quite literally as they are, for the most part, personal reminiscences of those who took part in these efforts on the ground …

The purpose of this Model Report (REV02) is to document the unsaturated zone (UZ) models used to evaluate the potential effects of coupled thermal-hydrological-chemical (THC) processes on UZ flow and transport. This Model Report has been developed in accordance with the ''Technical Work Plan for: Performance Assessment Unsaturated Zone'' (Bechtel SAIC Company, LLC (BSC) 2002 [160819]). The technical work plan (TWP) describes planning information pertaining to the technical scope, content, and management of this Model Report in Section 1.12, Work Package AUZM08, ''Coupled Effects on Flow and Seepage''. The plan for validation of the models documented in this Model Report is given in Attachment I, Model Validation Plans, Section I-3-4, of the TWP. Except for variations in acceptance criteria (Section 4.2), there were no deviations from this TWP. This report was developed in accordance with AP-SIII.10Q, ''Models''. This Model Report documents the THC Seepage Model and the Drift Scale Test (DST) THC Model. The THC Seepage Model is a drift-scale process model for predicting the composition of gas and water that could enter waste emplacement drifts and the effects of mineral alteration on flow in rocks surrounding drifts. The DST THC model is a drift-scale process model relying on the …