T*e, which is an elastic-plastic fracture parameter based on incremental theory of plasticity, was determined numerically and experimentally. The T*e integral of a tunneling crack in 2024-T3 aluminum, three point bend specimen was obtained through a hybrid analysis of moire interferometry and 3-D elastic-plastic finite element analysis. The results were verified by the good agreement between the experimentally and numerically determined T*e on the specimen surface.

This report documents the results of a project undertaken to develop an ultra-high-accuracy measurement capability, which is necessary to address a rising trend toward miniaturized mechanical products exhibiting dramatically reduced product tolerances. A significant improvement in measurement capability is therefore required to insure that a 4:1 ratio can be maintained between product tolerances and measurement uncertainty.

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

Odd electron species are important intermediates in organometallic chemistry, participating in a variety of catalytic and electron-transfer reactions which produce stable even-electron products. While electron deficient 17-electron (17e) radicals have been well characterized, the possible existence of short-lived 19-electron (19e) radicals has been a subject of continuing investigation. 19e radicals have been postulated as intermediates in the photochemical ligand substitution and disproportionation reactions of organometallic dimers containing a single metal-metal bond, yet the reactions of these intermediates on diffusion-limited time scales (ns-{micro}s) have never been directly observed. This study resolves the 19e dynamics in the ligand substitution of 17e radicals CpW(CO){sub 3}{sup {sm_bullet}} (Cp = C{sub 5}H{sub 5}) with the Lewis base P(OMe){sub 3}, providing the first complete description 19e reactivity.

This document provides a detailed account of how the acceptance testing was conducted for Project L-286, ''200E Area Sanitary Water Plant Effluent Stream Reduction''. The testing of the L-286 instrumentation system was conducted under the direct supervision

This Corrective Action Report (CAR) for the Mixed Waste Management Facility (MWMF) is being prepared to comply with the Resource Conservation and Recovery Act (RCRA) Permit Number SC1 890 008 989, dated October 31, 1999. This CAR compiles and presents all groundwater sampling and monitoring activities that are conducted at the MWMF. As set forth in previous agreements with South Carolina Department of Health and Environmental Control (SCDHEC), all groundwater associated with the Burial Ground Complex (BGC) (comprised of the MWMF, Low-Level Radioactive Waste Disposal Facility, and Old Radioactive Waste Burial Ground) will be addressed under this RCRA Permit. This CAR is the first to be written for the MWMF and presents monitoring activities and results as an outcome of Interim Status and limited Permitted Status activities. All 1999 groundwater monitoring activities were conducted while the MWMF was operated during Interim Status. Changes to the groundwater monitoring program were made upon receipt of the RCRA Permit, where feasible. During 1999, 152 single-screened and six multi-screened groundwater monitoring wells at the BGC monitored groundwater quality in the uppermost aquifer as required by the South Carolina Hazardous Waste Management Regulations (SCHWMR), settlement agreements 87-52-SW and 91-51-SW, and RCRA Permit SC1 890 008 …

The 2004 Gordon Conference on Donor/Acceptor Interactions will take place at Salve Regina University in Newport, Rhode Island on August 8-13, 2004. The conference will be devoted to the consequences of charge interaction and charge motion in molecular and materials systems.

This report is about Applied and Environmental Microbiology on Gordon Conference

The Gordon Research Conference (GRC) on 2005 Chemical Reactions at Surfaces was held at Ventura Beach Marriott, Ventura California from February 13, 2005 through February 18, 2005. The Conference was well-attended with 124 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students. In designing the formal speakers program, emphasis was placed on current unpublished research and discussion of the future target areas in this field. There was a conscious effort to stimulate lively discussion about the key issues in the field today. Time for formal presentations was limited in the interest of group discussions. In order that more scientists could communicate their most recent results, poster presentation time was scheduled. Attached is a copy of the formal schedule and speaker program and the poster program. In addition to these formal interactions, 'free time' was scheduled to allow informal discussions. Such discussions are fostering new collaborations and joint efforts in the field.

This annual operations report describes the requirements followed and activities conducted to inspect, monitor, and maintain the items installed during performance of the Waste Area Group 3, Operable Unit 3-13, Group 1, Tank Farm Interim Action, at the Idaho Nuclear Technology and Engineering Center. This report covers the time period from January 1 through December 31, 2006, and describes inspection and monitoring activities for the surface-sealed areas within the tank farm, concrete-lined ditches and culverts in and around the tank farm, the lift station, and the lined evaporation pond. These activities are intended to assure that the interim action is functioning adequately to meet the objectives stated in the Operable Unit 3-13, Record of Decision for the Group 1, Tank Farm Interim Action (DOE/ID-10660) as described in the Group 1 Remedial Design/Remedial Action Work Plan (DOE/ID-10772).

The U.S. Department of Energy’s (DOE) commitment to assuring the health and safety of its workers includes the conduct of illness and injury surveillance activities that provide an early warning system to detect health problems among workers. The Illness and Injury Surveillance Program monitors illnesses and health conditions that result in an absence, occupational injuries and illnesses, and disabilities and deaths among current workers.

The U.S. Department of Energy’s (DOE) commitment to assuring the health and safety of its workers includes the conduct of epidemiologic surveillance activities that provide an early warning system for health problems among workers. The Illness and Injury Surveillance Program monitors illnesses and health conditions that result in an absence of workdays, occupational injuries and illnesses, and disabilities and deaths among current workers.

Epigenetics refers to the study of heritable changes in genome function that occur without a change in primary DNA sequence. The 2009 Gordon Conference in Epigenetics will feature discussion of various epigenetic phenomena, emerging understanding of their underlying mechanisms, and the growing appreciation that human, animal, and plant health all depend on proper epigenetic control. Special emphasis will be placed on genome-environment interactions particularly as they relate to human disease. Towards improving knowledge of molecular mechanisms, the conference will feature international leaders studying the roles of higher order chromatin structure, noncoding RNA, repeat elements, nuclear organization, and morphogenic evolution. Traditional and new model organisms are selected from plants, fungi, and metazoans.

Advanced fuel injection experimental results on a single cylinder engine operating at part load show the path to NOx vs SFC tradeoffs. Hybrid battery vibration tests have been performed. Analysis of advanced Battery Management System field validation results showed effective SOC estimation. A fuel optimizer simulation lab has been completed.

The fuel injection hardware on the single cylinder research engine was upgraded and performance trends were quantified. The effects of fuel injection rate shapes were studied. Long-term cycling of subscale battery cell assemblies has identified aging trends. Follow-up vibration testing of an instrumented COTS battery was performed. Optimal trip planning algorithms were implemented and demonstrated in the interactive, real-time simulation environment.

A unit pump system was installed on the single cylinder engine. The performance entitlement of the high-pressure common rail system at notch 4 and notch 8 was determined, and data was also compared with a production design multi-cylinder engine. Vibration testing of a hybrid-bus-design battery revealed extensive insulation wear. The vendor initiated design activities to address vibration. A cell-level test program was initiated to study battery current flow at room temperature and develop limits. The robustness and sub-optimal simplified implementation of fuel optimization algorithms was studied.

Welcome to the annual 2007 Environmental Remediation Sciences Program (ERSP) Principal Investigators (PIs) meeting. The purpose of this meeting is to bring together all of the lead PIs and key Co-PIs in the program to share and review the results of funded research from the past year. This meeting allows program managers from the Environmental Remediation Sciences Division (ERSD) within the Office of Biological and Environmental Research (OBER) to gauge the progress and significance of the funded research, and it is also an important venue to showcase ERSP research to interested parties within DOE and other invited federal agency representatives. Additionally, these meetings should serve as an opportunity for funded PIs to view their research in the context of the entire ERSP portfolio. Past ERSP meetings have been very important venues for detailed discussion of research results among PIs, development of new research ideas, fostering new collaborations and discussion with ERSD program managers on future research efforts and/or initiatives within the program. In short, these meetings are an important resource for both program managers and PIs. There will be only one ERSP PI meeting for 2007. In years past, ERSD has sponsored two PI meetings, one in the spring and …

Dantrolene is a drug that suppresses intracellular Ca2+ release from sarcoplasmic reticulum in normal skeletal muscle and is used as a therapeutic agent in individuals susceptible to malignant hyperthermia. Though its precise mechanism of action has not been elucidated, we have identified the N-terminal region (amino acids 1-1400) of the skeletal muscle isoform of the ryanodine receptor (RyR1), the primary Ca2+ release channel in sarcoplasmic reticulum, as a molecular target for dantrolene using the photoaffinity analog [3H]azidodantrolene(1). Here, we demonstrate that heterologously expressed RyR1 retains its capacity to be specifically labeled with [3H]azidodantrolene,indicating that muscle specific factors are not required for this ligand-receptor interaction. Synthetic domain peptides of RyR1, previously shown to affect RyR1 function in vitro and in vivo, were exploited as potential drug binding site mimics and used in photoaffinity labeling experiments. Only DP1 and DP1-2, peptide s containing the amino acid sequence corresponding to RyR1 residues 590-609, were specifically labeled by [3H]azidodantrolene. A monoclonal anti-RyR1 antibody which recognizes RyR1 and its 1400 amino acid N-terminal fragment, recognizes DP1 and DP1-2 in both Western blots and immunoprecipitation assays, and specifically inhibits [3H]azidodantrolene photolabeling of RyR1 and its N-terminal fragment in sarcoplasmic reticulum. Our results indicate that synthetic domain …

This project had two major tasks: Task 1. The construction of a new air/helium facility to collect detailed measurements of Rayleigh-Taylor (RT) mixing at high Atwood number, and the distribution of these data to LLNL, LANL, and Alliance members for code validation and design purposes. Task 2. The collection of initial condition data from the new Air/Helium facility, for use with validation of RT simulation codes at LLNL and LANL. This report describes work done in the last twelve (12) months of the project, and also contains a summary of the complete work done over the three (3) life of the project. As of April 1, 2006, the air/helium facility (Task 1) is now complete and extensive testing and validation of diagnostics has been performed. Initial condition studies (Task 2) is also comp lete. Detailed experiments with air/helium with Atwood numbers up to 0.1 have been completed, and Atwood numbers of 0.25. Within the last three (3) months we have been able to successfully run the facility at Atwood numbers of 0.5. The progress matches the project plan, as does the budget. We have finished the initial condition studies using the water channel, and this work has been accepted for …

Ab initio electronic structure methods can supplement CALPHAD in two major ways for subsequent applications to stability in complex alloys. The first one is rather immediate and concerns the direct input of ab initio energetics in CALPHAD databases. The other way, more involved, is the assessment of ab initio thermodynamics {acute a} la CALPHAD. It will be shown how these results can be used within CALPHAD to predict the equilibrium properties of multi-component alloys.

The ab initio no-core shell model (NCSM) is extended to include a realistic three-body interaction in calculations for p-shell nuclei. They present results of first applications using the Argonne V8' nucleon-nucleon (NN) potential and the Tucson-Melbourne TM'(99) three-nucleon interaction (TNI). In addition to increase of binding energy, they observe a trend toward level-ordering and level-spacing improvement in comparison to experiment. With the TNI they obtain a correct ground-state spin for {sup 10}B contrary to calculations with NN potentials only. They also investigate neutrino-{sup 12}C exclusive cross sections and muon capture on {sup 12}C. They show that realistic nucleon-nucleon interactions underpredict the experimental cross sections by a factor of two or more. By including the TNI a much better agreement with experiment is achieved along with an encouraging trend.

One of the emerging computational approaches in nuclear physics is the full configuration interaction (FCI) method for solving the many-body nuclear Hamiltonian in a sufficiently large single-particle basis space to obtain exact answers - either directly or by extrapolation. The lowest eigenvalues and correspondingeigenvectors for very large, sparse and unstructured nuclear Hamiltonian matrices are obtained and used to evaluate additional experimental quantities. These matrices pose a significant challenge to the design and implementation of efficient and scalable algorithms for obtaining solutions on massively parallel computer systems. In this paper, we describe the computational strategies employed in a state-of-the-art FCI code MFDn (Many Fermion Dynamics - nuclear) as well as techniques we recently developed to enhance the computational efficiency of MFDn. We will demonstrate the current capability of MFDn and report the latest performance improvement we have achieved. We will also outline our future research directions.

As a gateway for scientific discovery, the Argonne Leadership Computing Facility (ALCF) works hand in hand with the world's best computational scientists to advance research in a diverse span of scientific domains, ranging from chemistry, applied mathematics, and materials science to engineering physics and life sciences. Sponsored by the U.S. Department of Energy's (DOE) Office of Science, researchers are using the IBM Blue Gene/L supercomputer at the ALCF to study and explore key scientific problems that underlie important challenges facing our society. For instance, a research team at the University of California-San Diego/ SDSC is studying the molecular basis of Parkinson's disease. The researchers plan to use the knowledge they gain to discover new drugs to treat the disease and to identify risk factors for other diseases that are equally prevalent. Likewise, scientists from Pratt & Whitney are using the Blue Gene to understand the complex processes within aircraft engines. Expanding our understanding of jet engine combustors is the secret to improved fuel efficiency and reduced emissions. Lessons learned from the scientific simulations of jet engine combustors have already led Pratt & Whitney to newer designs with unprecedented reductions in emissions, noise, and cost of ownership. ALCF staff members provide …

The overall goal of this project was to develop an accelerator-based neutron source (ABNS) for Boron Neutron Capture Therapy (BNCT). Specifically, our goals were to design, and confirm by measurement, a target assembly and a moderator assembly that would fulfill the design requirements of the ABNS. These design requirements were 1) that the neutron field quality be as good as the neutron field quality for the reactor-based neutron sources for BNCT, 2) that the patient treatment time be reasonable, 3) that the proton current required to treat patients in reasonable times be technologially achievable at reasonable cost with good reliability, and accelerator space requirements which can be met in a hospital, and finally 4) that the treatment be safe for the patients.