A detailed chemical kinetic mechanism has been used to simulate ignition delay times recorded by a number of experimental shock tube studies over the temperature range 900 {le} T {le} 1800 K, in the pressure range 0.75-40 atm and in the equivalence ratio range 0.5 {le} {phi} {le} 2.0. Flame speed measurements at 1 atm in the equivalence ratio range 0.4 {le} {phi} {le} 1.8 have also been simulated. Both of these data sets, particularly those recorded at high pressure, are of particular importance in validating a kinetic mechanism, as internal combustion engines operate at elevated pressures and temperatures and rates of fuel oxidation are critical to efficient system operation. Experiments in which reactant, intermediate and product species were quantitatively recorded, versus temperature in a jet-stirred reactor (JSR) and versus time in a flow reactor are also simulated. This data provide a stringent test of the kinetic mechanism as it must reproduce accurate quantitative profiles for all reactant, intermediate and product species. The JSR experiments were performed in the temperature range 1000-1110 K, in the equivalence ratio range 0.5 {le} {phi} {le} 4.0, at a pressure of 5 atm. These experiments are complemented by those carried out in a flow …

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This paper presents the results of a broad investigation into the effects of the electron energy distribution function on the predictions of non-LTE collisional-radiative atomic kinetics models. The effects of non-Maxwellian and suprathermal (''hot'') electron distributions on collisional rates (including three-body recombination) are studied. It is shown that most collisional rates are fairly insensitive to the functional form and characteristic energy of the electron distribution function as long as the characteristic energy is larger than the threshold energy for the collisional process. Collisional excitation and ionization rates, however, are highly sensitive to the fraction of hot electrons. This permits the development of robust spectroscopic diagnostics that can be used to characterize the electron density, bulk electron temperature, and hot electron fraction of plasmas with non-equilibrium electron distribution functions (EDFs). Hot electrons are shown to increase and spread out plasma charge state distributions, amplify the intensities of emission lines fed by direct collisional excitation and radiative cascades, and alter the structure of satellite features in both K- and L-shell spectra. The characteristic energy, functional form, and spatial properties of hot electron distributions in plasmas are open to characterization through their effects on high-energy continuum and line emission and on the polarization …

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We use the eight year light curve database from the MACHO (MAssive Compact Halo Objects) project together with infrared colors and magnitudes from 2MASS (the Two Micron All Sky Survey) to identify a sample of 22,000 long period variables in the Large Magellanic Cloud (referred to hereafter as LMC LPVs). A period luminosity diagram of these stars reveals six well defined sequences, in substantial agreement with previous analyses of samples from OGLE (Optical Gravitational Lensing Experiment). In our analysis we identify analogues to galactic LPVs in the LMC LPV sample. We find that carbon dominated AGB stars populate only two of the sequences, one of which includes the Mira variables. The high luminosity end of the same two sequences are also the location of the only stars with J K{sub s} > 2, indicating that they are enshrouded in dust. The unknown mechanism that produces the variability of the last sequence--those stars with long secondary periods--produces different morphology in the period luminosity diagram than what is seen in the first four sequences, which are thought to be caused by pulsation. In particular, the last sequence extends to lower luminosity RGB stars and the luminosity function does not peak among the …

The Stockpile Stewardship Program (SSP) is a single, highly integrated technical program for maintaining the safety and reliability of the U.S. nuclear stockpile. The SSP uses past nuclear test data along with future non-nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. It includes stockpile surveillance, experimental research, development and engineering programs, and an appropriately scaled production capability to support stockpile requirements. This integrated national program will require the continued use of current facilities and programs along with new experimental facilities and computational enhancements to support these programs. The Advanced Simulation and Computing program (ASC) is a cornerstone of the SSP, providing simulation capabilities and computational resources to support the annual stockpile assessment and certification, to study advanced nuclear weapon design and manufacturing processes, to analyze accident scenarios and weapons aging, and to provide the tools to enable stockpile life extension programs and the resolution of significant finding investigations (SFIs). This requires a balanced system of technical staff, hardware, simulation software, and computer science solutions.

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This paper will examine the results of this research that focus on future concepts of operations. Our approach was to look at current technological developments in the areas of reactor technology, I&C technology, and human-system integration technology and to make projections into the near and longer-term future concerning their potential impact on human performance. The results were discussed in terms of three aspects of concepts of operations: functional staffing models, plant automation, and training and qualifications. Significant changes to each are anticipated and discussed. Research will be needed to address these changes in order to provide for confidence that changes to concepts of operations are accomplished in ways that maintain public safety.

The luminosity in RHIC is limited by vacuum pressure rises, observed with high intensity beams of all species (Au{sup 79+}, d{sup +}, p{sup +}). At injection, the pressure rise could be linked to the existence of electron clouds. In addition, pressure rises in the experimental regions may be caused by electron clouds. They review the existing observations, comparisons with simulations, as well as corrective measures taken and planned.

Aircraft crashes are an element of external events required to be analyzed and documented in facility Safety Analysis Reports (SARs) and Nuclear Explosive Safety Studies (NESSs). This paper discusses the localized effects of an aircraft crash impact into the Device Assembly Facility (DAF) located at the Nevada Test Site (NTS), given that the aircraft hits the facility. This was done to gain insight into the robustness of the DAF and to account for the special features of the DAF that enhance its ability to absorb the effects of an aircraft crash. For the purpose of this paper, localized effects are considered to be only perforation or scabbing of the facility. This paper presents an extension to the aircraft crash risk methodology of Department of Energy (DOE) Standard 3014. This extension applies to facilities that may find it necessary or desirable to estimate the localized effects of an aircraft crash hit on a facility of nonuniform construction or one that is shielded in certain directions by surrounding terrain or buildings. This extension is not proposed as a replacement to the aircraft crash risk methodology of DOE Standard 3014 but rather as an alternate method to cover situations that were not considered.

In 2003 scientists at the Lawrence Livermore National Laboratory, the Lawrence Berkeley National Laboratory, and the University of California at Berkeley undertook a collaborative effort. The goal of this collaboration is to develop a concept for an active neutron interrogation system that can detect small masses of contraband fissile material in intermodal cargo containers--roughly five kg of highly-enriched-uranium or one kg of plutonium--even when well shielded by thick cargo. It is essential that implementation of the concept be reliable and has low false-positive and false-negative error rates. Interrogation must also be rapid to avoid interruption of commerce; analysis must be completed in minutes. This document summarizes that effort to date and was drawn, with the exception of minor editing, from the summary in Ref. 1.

Ultra-wideband (UWB) technology has proven to be useful in short range, high data rate, robust, and low power communications. These features can make UWB systems ideal candidates for reliable data communications between nodes of a wireless sensor network (WSN). However, the low powered UWB pulses can be significantly degraded by channel noise, inter-node interference, and intentional jamming. In this paper we present a novel interference suppression technique for UWB based WSNs that promises self-organization in terms of power conservation, scalability, and channel estimation for the entire distributed network.

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In the past, several of LLNL precision machine tools have been built with custom in-house designed machine tool controllers (CNC). In addition, many of these controllers have reached the end of their maintainable lifetime, limit future machine application enhancements, have poor operator interfaces and are a potential single point of failure for the machine tool. There have been attempts to replace some of these custom controllers with commercial controller products, unfortunately, this has occurred with only limited success. Many commercial machine tool controllers have the following undesirable characteristics, a closed architecture (use as the manufacturer intended and not as LLNL would desire), allow only a single feedback device per machine axis and have limited servo axis compensation calculations. Technological improvements in recent years have allowed for the development of some commercial machine tool controllers that are more open in their architecture and have the power to solve some of these limitations. In this paper, we exploit the capabilities of one of these controllers to allow it to process multiple feedback sensors for tool tip calculations in real time and to extend the servo compensation capabilities by cascading several standard motor compensation loops.

We have carried out a series of ab-initio calculations to investigate changes in the optical properties of Si quantum dots as a function of surface passivation. In particular, we have compared hydrogen passivated dots with those having alkyl groups at the surface. We find that, while on clusters with reconstructed surfaces a complete alkyl passivation is possible, steric repulsion prevents full passivation of Si dots with unreconstructed surfaces. In addition, our calculations show that steric repulsion may have a dominant effect in determining the surface structure, and eventually the stability of alkyl passivated clusters, with results dependent on the length of the carbon chain. Alkyl passivation weakly affects optical gaps of silicon quantum dots, while it substantially decreases ionization potentials and electron affinities and affect their excited state properties. On the basis of our results we propose that alkyl terminated quantum dots may be size selected taking advantage of the change in ionization potential as a function of the cluster size.

We have observed spectra from highly charged zinc ions in a variety of laser-produced plasmas. Spectral features that are Na- and Mg-like satellites to high-n Rydberg transitions in the Ne-like ZnXXI spectrum are analyzed and modeled. Identifications and analysis are made by comparison with highly accurate atomic structure calculations and steady state collisional-radiative models. Each observed ZnXX and ZnXIX feature comprises up to {approx} 2 dozen individual transitions, these transitions are excited principally by dielectronic recombination through autoionizing levels in Na- and Mg-like Zn{sup 19+} Zn{sup 18+}. We find these satellites to be ubiquitous in laser-produced plasmas formed by lasers with pulse lengths that span four orders of magnitude, from 1 ps to {approx} 10 ns. The diagnostic potential of these Rydberg satellite lines is demonstrated.

Plasmodium falciparum is unable to synthesize purine bases and relies upon purine salvage and purine recycling to meet its purine needs. We report that purines formed as products of the polyamine pathway are recycled in a novel pathway in which 5'-methylthioinosine is generated by adenosine deaminase. The action of P. falciparum purine nucleoside phosphorylase is a convergent step of purine salvage, converting both 5'-methylthioinosine and inosine to hypoxanthine. We used accelerator mass spectrometry to verify that 5'-methylthioinosine is an active nucleic acid precursor in P. falciparum. Prior studies have shown that inhibitors of purine salvage enzymes kill malaria, but potent malaria-specific inhibitors of these enzymes have not previously been described. 5'-methylthio-Immucillin-H, a transition state analogue inhibitor that is selective for malarial over human purine nucleoside phosphorylase, kills P. falciparum in culture. Immucillins are currently in clinical trials for other indications and may have application as antimalarials.

Raman spectroscopy has been used to study fluid water at approximately 1000 K and 2 to 60 GPa in a laser heated diamond anvil cell. First principles molecular dynamics (MD) simulations have also been employed to simulate water under similar conditions. The experimental Raman intensity of the O-H stretch mode was observed to decrease with pressure, and beyond 50 GPa this mode was no longer visible. At approximately the same pressure we inferred a change in the slope of the melting curve. Consistent with these experimental observations, the MD simulations show that water under these conditions forms a dynamically ionized liquid state, which is dominated by very short lived (<10 fs) H{sub 2}O, H{sub 3}O{sup +} and O{sup 2-} species.

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The Sensor Fish device is being used at Northwest hydropower projects to better understand the conditions fish experience during passage through hydroturbines and other dam bypass alternatives. Since its initial development in 1997, the Sensor Fish has undergone numerous design changes to improve its function and extend the range of its use. The most recent Sensor Fish design, the three degree of freedom (3DOF) device, has been used successfully to characterize the environment fish experience when passing through turbines, in spill, or in engineered fish bypass facilities at dams. Pacific Northwest National Laboratory (PNNL) is in the process of redesigning the current 3DOF Sensor Fish device package to improve its field performance. Rate gyros will be added to the new six degree of freedom (6DOF) device so that it will be possible to observe the six linear and angular accelerations of the Sensor Fish as it passes the dam. Before the 6DOF Sensor Fish device can be developed and deployed, governing equations of motion must be developed in order to understand the design implications of instrument selection and placement within the body of the device. In this report, we describe a fairly general formulation for the coordinate systems, equations of …

The current U.S. Nuclear Regulatory Commission (NRC) licensing process of instrumentation and control (I&C) systems is based on deterministic requirements, e.g., single failure criteria, and defense in depth and diversity. Probabilistic considerations can be used as supplements to the deterministic process. The National Research Council has recommended development of methods for estimating failure probabilities of digital systems, including commercial off-the-shelf (COTS) equipment, for use in probabilistic risk assessment (PRA). NRC staff has developed informal qualitative and quantitative requirements for PRA modeling of digital systems. Brookhaven National Laboratory (BNL) has performed a review of the-state-of-the-art of the methods and tools that can potentially be used to model digital systems. The objectives of this paper are to summarize the review, discuss the issues associated with probabilistic modeling of digital systems, and identify potential areas of research that would enhance the state of the art toward a satisfactory modeling method that could be integrated with a typical probabilistic risk assessment.

This document presents the climatological data measured at the U.S. Department of Energy’s Hanford Site for calendar year 2003.

The Waste Isolation Pilot Plant (WIPP) is being considered for the disposal of K Basin sludge as RH-TRU. Because the hydrogen gas concentration in the 55-gallon RH-TRU sealed drums to be transported to WIPP is limited by flammability safety, the number of containers and shipments likely will be driven by the rate of hydrogen generated by the uranium metal-water reaction (U + 2 H{sub 2}O {yields} UO{sub 2} + 2 H{sub 2}) in combination with the hydrogen generated from water and organic radiolysis. Gas generation testing was conducted with uranium metal particles of known surface area, in simulated K West (KW) Basin canister sludge and immobilized in candidate grout solidification matrices. This study evaluated potential for Portland cement and magnesium phosphate grouts to inhibit the reaction of water with uranium metal in the sludge and thereby permit higher sludge loading to the disposed waste form. The best of the grouted waste forms decreased the uranium metal-water reaction by a factor of four.

Given the rapid evolution of digital technology and its inherent flexibility, there may be concern that the regulatory review process could stifle new and innovative approaches to human-system interface (HSI) design even though such innovations may improve operational performance and safety. The U.S. Nuclear Regulatory Commission (NRC) has addressed this concern in recent revisions to its human factors engineering (HFE) review guidance that focuses on the design process as well as the HSI itself. That process has a number of built-in mechanisms to provide a basis to review and accept new approaches to HSI design. These include the use of applicant-specific HSI style guides, the identification of specific criteria for deviating from NRC design review guidelines, and the use of applicant tests and evaluations in lieu of HFE guidelines.