A stabilized, nodally integrated linear tetrahedral is formulated and analyzed. It is well known that linear tetrahedral elements perform poorly in problems with plasticity, nearly incompressible materials, and acute bending. For a variety of reasons, linear tetrahedral elements are preferable to quadratic tetrahedral elements in most nonlinear problems. Whereas, mixed methods work well for linear hexahedral elements, they don't for linear tetrahedrals. On the other hand, automatic mesh generation is typically not feasible for building many 3D hexahedral meshes. A stabilized, nodally integrated linear tetrahedral is developed and shown to perform very well in problems with plasticity, nearly incompressible materials and acute bending. Furthermore, the formulation is analytically and numerically shown to be stable and optimally convergent. The element is demonstrated to perform well in several standard linear and nonlinear benchmarks.

Biological Aerosol Mass Spectrometry (BAMS) is an emerging technique for the detection of biological aerosols, which is being developed at Lawrence Livermore National Laboratory. The current system uses several orthogonal analytical methods to improve system selectivity, sensitivity and speed in order to maximize its utility as a biological aerosol detection system with extremely low probability of false alarm and high probability of detection. Our approach is to pre-select particles of interest by size and fluorescence prior to mass spectral analysis. The ability to distinguish biological aerosols from background and to discriminate bacterial spores, vegetative cells, viruses and toxins from one another will be shown. Data from particle standards of known chemical composition will be discussed. Analysis of ambient particles will also be presented.

Dose and risk assessments are an integral part of decommissioning activities. Most human health risk assessments are performed for a reasonable maximum exposure to an individual with assumed intake and exposure parameters that depend on the end state of the decommissioning activities and the likely future use of the site. Regardless of how the potentially exposed individual is defined, the subsequent calculated human health risk is not a measurable quantity. To demonstrate compliance with risk-based acceptance or cleanliness criteria, facility-specific risk assessments usually are performed after final-verification sampling and analysis. Alternatively, conservative, a priori, guideline concentrations for residual contaminants can be calculated and rapidly compared to the subsequently measured contaminant concentrations to demonstrate compliance. In response to the request for accelerated cleanup at U.S. Department of Energy facilities, the Savannah River Site (SRS) is decommissioning its excess facilities through removal of the facility structures leaving only the concrete-slab foundations in place. Site-specific, risk-based derived concentration guideline levels (DCGLs) for radionuclides have been determined for a future industrial worker potentially exposed to residual contamination on these concrete slabs. When appropriate, these conservative DCGLs will be used at SRS in lieu of facility-specific risk assessments to further accelerate the decommissioning process. This …

We describe the performance of the block-structured Adaptive Mesh Refinement (AMR) code Raptor on the 32k node IBM BlueGene/L computer. This machine represents a significant step forward towards petascale computing. As such, it presents Raptor with many challenges for utilizing the hardware efficiently. In terms of performance, Raptor shows excellent weak and strong scaling when running in single level mode (no adaptivity). Hardware performance monitors show Raptor achieves an aggregate performance of 3:0 Tflops in the main integration kernel on the 32k system. Results from preliminary AMR runs on a prototype astrophysical problem demonstrate the efficiency of the current software when running at large scale. The BG/L system is enabling a physics problem to be considered that represents a factor of 64 increase in overall size compared to the largest ones of this type computed to date. Finally, we provide a description of the development work currently underway to address our inefficiencies.

The HPC Challenge benchmark suite has been released by the DARPA HPCS program to help define the performance boundaries of future Petascale computing systems. HPC Challenge is a suite of tests that examine the performance of HPC architectures using kernels with memory access patterns more challenging than those of the High Performance Linpack (HPL) benchmark used in the Top500 list. Thus, the suite is designed to augment the Top500 list, providing benchmarks that bound the performance of many real applications as a function of memory access characteristics e.g., spatial and temporal locality, and providing a framework for including additional tests. In particular, the suite is composed of several well known computational kernels (STREAM, HPL, matrix multiply--DGEMM, parallel matrix transpose--PTRANS, FFT, RandomAccess, and bandwidth/latency tests--b{sub eff}) that attempt to span high and low spatial and temporal locality space. By design, the HPC Challenge tests are scalable with the size of data sets being a function of the largest HPL matrix for the tested system.

HYSPEC is a direct geometry spectrometer to be installed at the SNS [1] on beamline 14B where it will view a cryogenic coupled hydrogen moderator, The ''hybrid'' design combines time-of-flight spectroscopy with focusing Bragg optics to provide a high monochromatic flux on small single crystal samples, with a very low background at an extended detector bank. The instrument is optimized for an incident energy range of 3-90meV. It will have a medium energy resolution (2-10%) and will provide a flux on sample of the order of 10{sup 6}-10{sup 7} neutrons/s-cm{sup 2}. The spectrometer will be located in a satellite building outside the SNS experimental hall at the end of a 35m curved supermirror guide. A straight-slotted Fermi chopper will be used to monochromate the neutron beam and to determine the burst width. The 15cm high, 4cm wide beam will be focused onto a 2cm by 2cm area at the sample position using Bragg reflection from one of two crystal arrays. For unpolarized neutron studies these will be Highly Oriented Pyrolitic graphite crystals while for polarized neutron studies these will be replaced with Heusler alloy crystals. These focusing crystal arrays will be placed in a drum shield similar to those used …

The Hybrid Spectrometer (HYSPEC), under construction at the SNS on beam line 14B, is the only inelastic scattering instrument designed to enable polarization of the incident and the scattered neutron beams. A Heusler monochromator will replace the graphite crystal for producing polarized neutrons. In the scattered beam it is planned to use a collimator--multi-channel supermirror bender array to analyze the polarization of the scattered beam over the final energy range from 5-20 meV. Other methods of polarization analysis under consideration such as transmission filters using He{sup 3}, Sm, and polarized protons are considered. Their performance is estimated and a comparison of the various methods of polarization is made.

The exit from mitosis is the last critical decision a cell has to make during a division cycle. A complex regulatory system has evolved to evaluate the success of mitotic events and control this decision. Whereas outstanding genetic work in yeast has led to rapid discovery of a large number of interacting genes involved in the control of mitotic exit, it has also become increasingly difficult to comprehend the logic and mechanistic features embedded in the complex molecular network. Our view is that this difficulty stems in part from the attempt to explain mitotic exit control using concepts from traditional top-down engineering design, and that exciting new results from evolutionary engineering design applied to networks and electronic circuits may lend better insights. We focus on four particularly intriguing features of the mitotic exit control system: the two-stepped release of Cdc14; the self-activating nature of Tem1 GTPase; the spatial sensor associated with the spindle pole body; and the extensive redundancy in the mitotic exit network. We attempt to examine these design features from the perspective of evolutionary design and complex system engineering.

Defense Nuclear Facilities Safety Board (DNFSB) Recommendation 2002-1 (''Quality Assurance for Safety-Related Software'') identified a number of quality assurance issues on the use of software in Department of Energy (DOE) facilities for analyzing hazards, and designing and operating controls to prevent or mitigate potential accidents. Over the last year, DOE has begun several processes and programs as part of the Implementation Plan commitments, and in particular, has made significant progress in addressing several sets of issues particularly important in the application of software for performing hazard and accident analysis. The work discussed here demonstrates that through these actions, Software Quality Assurance (SQA) guidance and software tools are available that can be used to improve resulting safety analysis. Specifically, five of the primary actions corresponding to the commitments made in the Implementation Plan to Recommendation 2002-1 are identified and discussed in this paper. Included are the web-based DOE SQA Knowledge Portal and the Central Registry, guidance and gap analysis reports, electronic bulletin board and discussion forum, and a DOE safety software guide. These SQA products can benefit DOE safety contractors in the development of hazard and accident analysis by precluding inappropriate software applications and utilizing best practices when incorporating software results …

The growth of laser development & technology has been remarkable. Unfortunately, a number of traps or obstacles to laser safety have also developed with that growth. The goal of this article is to highlight those traps, in the hope that an aware laser user will avoid them. These traps have been the cause or contributing factor of many a preventable laser accident.

We demonstrate that the Qbox code supports unprecedented large-scale First-Principles Molecular Dynamics (FPMD) applications on the BlueGene/L supercomputer. Qbox is an FPMD implementation specifically designed for large-scale parallel platforms such as BlueGene/L. Strong scaling tests for a Materials Science application show an 86% scaling efficiency between 1024 and 32,768 CPUs. Measurements of performance by means of hardware counters show that 37% of the peak FPU performance can be attained.

Kondo coupling of f and conduction electrons is a common feature of f-electron intermetallics. Similar effects should occur in carbon ring systems (metallocenes). Evidence for Kondo coupling in Ce(C{sub 8}H{sub 8}){sub 2} (cerocene) and the ytterbocene Cp*{sub 2}Yb(bipy) is reported from magnetic susceptibility and L{sub III}-edge x-ray absorption spectroscopy. These well-defined systems provide a new way to study the Kondo effect on the nanoscale, should generate insight into the Anderson Lattice problem, and indicate the importance of this often-ignored contribution to bonding in organometallics.