This is the final report of a three-year, Laboratory-Directed Research and Development (LDRD) project at the Los Alamos National Laboratory (LANL). Our objectives were to develop a multidisciplinary team and capabilities to develop a fundamental understanding of homogeneous, heterogeneous, and heterogenized catalysts. With the aid of theoretical chemistry approaches we explored and characterized the chemical reactivity and physical properties of a large number of catalytic systems.

One of the most difficult issues of constitutional law concerns the extent to which the establishment of religion clause of the First Amendment imposes constraints on the provision of public aid to private sectarian schools. This report gives a brief overview of the evolution of the Court’s interpretation of the establishment clause in this area and itemizes the categories of aid that have been addressed by the Court and held to be constitutionally permissible or impermissible, both at the elementary and secondary school level and at the college level.

This report summarizes each of the Supreme Courts decisions in regard to instances of prayer and religion in public schools. The report gives a detailed overview of what has been held to be constitutionally permissible and constitutionally forbidden, and describes two issues as yet unsettled.

The Fiscal Year 2001 Tank Characterization Technical Sampling Basis and Waste Information Requirements Document (TSB-WIRD) has the following purposes: (1) To identify and integrate sampling and analysis needs for fiscal year (FY) 2001 and beyond. (2) To describe the overall drivers that require characterization information and to document their source. (3) To describe the process for identifying, prioritizing, and weighting issues that require characterization information to resolve. (4) To define the method for determining sampling priorities and to present the sampling priorities on a tank-by-tank basis. (5) To define how the characterization program is going to satisfy the drivers, close issues, and report progress. (6)To describe deliverables and acceptance criteria for characterization deliverables.

We evaluated several concepts for a new survey for small objects in the Solar System. We designed a highly novel survey for comets in the outer region of the Solar System, which exploits the occultations of relatively bright stars to infer the presence of otherwise extremely faint objects. The populations and distributions of these objects are not known; the uncertainties span orders of magnitude! These objects are important scientifically as probes of the primordial solar system, and programmatically now that major investments may be made in the possible mitigation of the hazard of asteroid or comet collisions with the Earth.

The Cast Metal Coalition, composed of more than 22 research providers and universities and 149 industrial partners, has completed a four-year research and development partnership with the Department of Energy. This report provides brief summaries of the 29 projects performed by the Coalition. These projects generated valuable information in such aspects of the metals industry as process prediction technologies, quality control, improved alloys, product machinability, and casting process improvements.

This Calculation is intended to satisfy engineering requirements for maximum 60-minute precipitation amounts for 50 and 100-year return periods at and near Yucca Mountain. This data requirement is documented in the ''Interface Control Document for Support Operations to Surface Facilities Operations Functional and Organizational Interfaces'' (CRWMS M&O 1998a). These developed data will supplement the information on 0.1 hour to 6-hour (in 0.1-hour increments) probable maximum precipitation (PMP) presented in the report, ''Precipitation Design Criteria for Storm Water Management'' (CRWMS M&O 1998b). The Reference Information Base (RIB) item, Precipitation ''Characteristics for Storm Water Management'' (M09902RIB00045 .OOO), was developed based on CRWMS M&O (1998b) and will be supplemented (via revision) with the information developed in this Calculation. The ''Development Plan for the Calculation: Precipitation Characteristics for Storm Water Management'' (CRWMS M&O 2000) was prepared in accordance with AP-2.l3Q, ''Technical Product Development Planning''. This calculation was developed in accordance with AP-3.12Q, Rev. O/ICN 2.

For the past 10 years the Advanced Industrial Materials (AIM) has supported development of new and improved materials to enable U.S. industry to improve energy efficiency, increase productivity, and reduce waste. It has been a National Laboratory based program, with work currently under way at Oak Ridge National Laboratory, Los Alamos National Laboratory, and Sandia National Laboratories, in collaboration with industrial and university partners. With the advent of the Industries of the Future (IOF) strategy within the Office of Industrial Technologies (OIT) and the scheduled completion of the Continuous Fiber Ceramic Composites (CFCC) Program in FY 2002, an integrated materials program is being developed in OIT. So this represents the last summary of AIM research and development. The new program, Industrial Materials for the Future (IMF), will be competitive in operation, with solicitations for proposals for development of materials in accordance with the IOF Technology Roadmaps, followed by merit review and funding of the best proposals. Industry will take the lead in ''industry-specific'' research and development, in cooperation with National Laboratories, as needed. National Laboratories and universities will take the lead in maintaining a base technology program, for the purpose of maintaining a continuing flow of new materials technologies. The …

The purpose of this protocol is to assist US Department of Energy (DOE) sites in releasing concrete for reuse. Current regulations allow the sites to release surface-contaminated materials if their radioactivity falls below certain levels and to possibly release materials with volumetric contamination or higher levels of surface contamination on a case-by-case basis. In all cases, an ALARA (as low as reasonably achievable) analysis that evaluates the risks of releasing volumetrically contaminated concrete or concrete with higher levels of surface contamination is required as a basis for proposing and setting new release limits that allow for reuse of the concrete material. To evaluate the dose impacts of reusing radioactively contaminated material, the measured radiation levels (pCi/g or disintegrations per minute [dpm]/100 cm{sup 2}) must be converted to the estimated dose (mrem/yr) that would be received by affected individuals. The dose depends on the amounts and types of isotopes present and the time, distance, and method of exposure (e.g., inhalation or external exposure). For each disposition alternative, the protocol provides a systematic method to evaluate the impact of the dose on the affected individuals. The cost impacts of reusing concrete also need to be evaluated. They too depend on the disposition …

We develop scalable algorithms and object-oriented code frameworks for terascale scientific simulations on massively parallel processors (MPPs). Our research in multigrid-based linear solvers and adaptive mesh refinement enables Laboratory programs to use MPPs to explore important physical phenomena. For example, our research aids stockpile stewardship by making practical detailed 3D simulations of radiation transport. The need to solve large linear systems arises in many applications, including radiation transport, structural dynamics, combustion, and flow in porous media. These systems result from discretizations of partial differential equations on computational meshes. Our first research objective is to develop multigrid preconditioned iterative methods for such problems and to demonstrate their scalability on MPPs. Scalability describes how total computational work grows with problem size; it measures how effectively additional resources can help solve increasingly larger problems. Many factors contribute to scalability: computer architecture, parallel implementation, and choice of algorithm. Scalable algorithms have been shown to decrease simulation times by several orders of magnitude.

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Oxidation of 2,4,6-trinitrotoluene (TNT) by aqueous nitric acid at high temperature and pressure gives 2,4,6-trinitrobenzoic acid (TNBA) and other valuable products, such as 1,3,5-trinitrobenzene (TNB). Optimization of the kinetics proved to be critical for the selective oxidation of the methyl group. High yield of a desired product can be obtained only under a narrow range of conditions. Thus, the best yield (70 to 75%) of TNBA was achieved at a 35 to 45% conversion of TNT (80% nitric acid, 194 C, 20 min), whereas the decarboxylation product (TNB) was the major component of the reaction mixture after a 50-min reaction. Subsequent separation of TNBA was achieved by selective extraction with aqueous bicarbonate. Practical technology development steps for a continuous mode of operation leading to the chief products are also discussed. This technology can use commercial raw trotyl and trotyl from discharged ammunition as the starting material. The latter could be of particular importance for the conversion program aimed at the utilization of ammunition supplies.

The behavior of small amounts of polarized {sup 3}He in a bath of superfluid {sup 4}He at temperatures below 1 K is critical to a new technique for measuring the EDM of the neutron. We report on studies to enhance the number of ultracold neutrons produced in such a bath, on the development of neutron tomography in gaseous mixtures, on magnet properties associated with the precession of {sup 3}He, and on preparations for tests of the distribution and diffusion coefficients of {sup 3}He in the bath.

This screening addresses the critical characteristics for food industry type cans and containers used for handling and storage of special nuclear materials at the Plutonium Finishing Plant (PFP). HNF-5460, Revision 0 specified a minimum tin plate of 0.50 Ib./base box. Since the food pack cans currently used and that have been tested have a listed tin plate of 0.20 lbs. per base box, Revision 1 reduced the tin plate to {ge} 0.20 Ib./base box (i.e., No. 20 tinned commercial steel or heavier). This revision lists Critical Characteristics for two (2) large filtered containers, and associated shielding over-packs. These new containers are called ''Nuclear Material Containers'' (NMCs). They are supplied in various sizes, which can be nested, one inside another. The PFP will use NMCs with volumes up to 8-quarts as needed to over-pack largely bulged containers.

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This Preliminary Project Plan Summarizes the Technical, Cost, and Schedule baselines for an integrated approach to developing several flight paths at the Manual Lujan Jr. Neutron Scattering Center at the Los Alamos Neutron Science Center. For example, the cost estimate is intended to serve only as a rough order of magnitude assessment of the cost that might be incurred as the flight paths are developed. Further refinement of the requirements and interfaces for each beamline will permit additional refinement and confidence in the accuracy of all three baselines (Technical, Cost, Schedule).

This document describes the preliminary plans for closure of the Immobilized Low-Activity Waste (ILAW) disposal facility to be built by the Office of River Protection at the Hanford site in southeastern Washington. The facility will provide near-surface disposal of up to 204,000 cubic meters of ILAW in engineered trenches with modified RCRA Subtitle C closure barriers.

This report documents the results of laboratory investigations into the hydrodynamic character of the CST compared to DWPF frit and discusses attempts to alter the hydrodynamic character of the CST. This report documents the manner in which this material was produced.

This report establishes requirements and standard methods for the development and maintenance of the Emergency Action Level (EAL) Process used by all lead and event contractors for emergency planning and preparedness. The EAL process ensures a technically defensible approach to emergency categorization/classification in accordance with DOE Order 151.1. The instructions provided in this document include methods and requirements for the development and approval of the EAL process. EALs are developed to cover events inside and outside the Y-12 Plant and to allow the Emergency Response Organization (ERO) to classify or reclassify events promptly based on specific indicators. This report is divided into the following 11 subsections: (1) EAL Process, (2) Categorization/Classification System for Operational Emergencies, (3) Development of EALs, (4) Barrier Analysis for EALs, (5) Symptom-Based and Event-Based EALs, (6) Other Considerations, (7) Integration of EALs with Normal and Off-Normal Operations, (8) EAL Manual, (9) Testing EALs for Completeness, (10) Training and Implementation of EALs, and (11) Configuration Management.

The aim of the work here was to understand both the yield anomaly in FeAl, which was first noted by the P.I. and collaborators, and the effect of environment on the fracture of FeAl. The progress in these areas is outlined below. A model for the yield anomaly developed as part of this work served as the basis for a successful proposal to NSF to study the yield anomaly in other B2 compounds. The effects of vacancies and of boron on flow and fracture at room temperature were also addressed. Recrystallization and grain growth were studied In both FeAl and Ni{sub 3}Al. Strain-induced ferromagnetism was studied in FeAl and a model for the paramagnetic-to-ferromagnetic transition was developed based on antiphase boundary tubes. A successful proposal was also submitted to NSF on this topic. Finally, in addition to a number of papers and Presentations on our experimental work, several invited presentations and published reviews, including a major review in International Material Reviews, on the mechanical properties of either FeAl or B2 compounds were made.

President Clinton created a number of new national monuments, using authority given the President under the Antiquities Act of 1906. Many of the designations were controversial and renewed discussion of that Act and whether a President can modify or eliminate a Presidentially created national monument. This report examines that question.

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The Pacific Northwest National Laboratory operates a number of research and development facilities for the U.S. Department of Energy in the Hanford Site's 300 Area. Process wastewater from these facilities is sent to and treated by the 300 Area Treated Effluent Disposal Facility before being discharged to the Columbia River. This report provides facility-specific information, wastewater characteristics, and describes the controls used to ensure compliance with the TEDF Waste Acceptance Criteria Program.