This work develops and demonstrates a laboratory-scale high temperature natural gas furnace that can operate with/without oxygen enrichment to significantly improve energy efficiency and reduce emissions. The laboratory-scale is 5ft in diameter & 8ft tall. This furnace was constructed and tested. This report demonstrates the efficiency and pollutant prevention capabilities of this test furnace. The project also developed optical detection technology to control the furnace output.

This project examined the internal architecture of delta front sandstones at two locations within the Turonian-age Wall Creek Member of the Frontier Formation, in Wyoming. The project involved traditional outcrop field work integrated with core-data, and 2D and 3D ground penetrating radar (GPR) imaging from behind the outcrops. The fluid-flow engineering work, handled through a collaborative grant given to PI Chris White at LSU, focused on effects on fluid flow of late-stage calcite cement nodules in 3D. In addition to the extensive field component, the work funded 2 PhD students (Gani and Lee) and resulted in publication of 10 technical papers, 17 abstracts, and 4 internal field guides. PI Bhattacharya also funded an additional 3 PhD students that worked on the Wall Creek sandstone funded separately through an industrial consortium, two of whom graduated in the fall 2006 ((Sadeque and Vakarelov). These additional funds provided significant leverage to expand the work to include a regional stratigraphic synthesis of the Wall Creek Member of the Frontier Formation, in addition to the reservoir-scale studies that DOE directly funded. Awards given to PI Bhattacharya included the prestigious AAPG Distinguished Lecture Award, which involved a tour of about 25 Universities and Geological Societies in …

None

The fundamental equation governing a non-relativistic quantum system of N particles is the time-dependant Schroedinger Equation [Schroedinger, 1926]. In 1965, Kohn and Sham proposed to replace this original many-body problem by an auxiliary independent-particles problem that can be solved more easily (Density Functional Theory). Solving this simplified problem requires to find the subspace of dimension N spanned by the N eigenfunctions {Psi}{sub i} corresponding to the N lowest eigenvalues {var_epsilon}{sub i} of a non-linear Hamiltonian operator {cflx H} determined from first-principles. From the solution of the Kohn-Sham equations, forces acting on atoms can be derived to optimize geometries and simulate finite temperature phenomenon by molecular dynamics. This technique is used at LLNL to determine the Equation of State of various materials, and to study biomolecules and nanomaterials.

The primary goal of this Exploratory Research is to develop an understanding of laser-matter interactions with 527-nm light (2{omega}) for studies of interest to numerous Laboratory programs including inertial confinement fusion (ICF), material strength, radiation transport, and hydrodynamics. In addition, during the course of this work we will develop the enabling technology and prototype instrumentation to diagnose a high fluence laser beam for energy, power, and near field intensity profile at 2{omega}. Through this Exploratory Research we have established an extensive experimental and modeling data base on laser-matter interaction with 527 nm laser light (2{omega}) in plasma conditions of interest to numerous Laboratory programs. The experiments and the laser-plasma interaction modeling using the code pF3D have shown intensity limits and laser beam conditioning requirements for future 2{omega} laser operations and target physics experiments on the National Ignition Facility (NIF). These findings have set requirements for which present radiation-hydrodynamic simulations indicate the successful generation of relevant pressure regimes in future 2{omega} experiments. To allow these experiments on the NIF, optics and optical mounts were prepared for the 18mm Second Harmonic Generation Crystal (SHG crystal) that would provide the desired high conversion efficiency from 1{omega} to 2{omega}. Supporting experimental activities on NIF …

The project would (1) compare new FK-800 with old Kel-F 800 and KF-800 lots currently available at LLNL, (2) compare and characterize new TATB with old TATB, (3) formulate new FK-800 with wet-aminated TATB and new TATBs in according to HAAP slurry coating procedure into LX-17-2, and (4) evaluate the mechanical and detonation performance characteristics of this insensitive high explosive (IHE). Priorities will be to prove that these new materials can be formulated, pressed to density and machined; and that they contain no impurities which might cause compatibility issues. Since 3M [1, 2], LANL [7], Pantex [8] and AWE [9, 10] are currently evaluating the new FK-800, we plan to share data rather than repeating their work. Our effort is briefly described: Task 1--Evaluation of newer characterization methods to identify structural variations between old and new Kel-F 800 including: Rheological and mechanical properties, copolymer content, degree of crystallinity, and interfacial interactions with TATB. Task 2--Evaluate TATBs using scattering techniques to replace sieving operations called out in the specification [12] for particle size distribution measurements. Use SEM and OM for morphological differences between the old and new explosives. Evaluate the compaction characteristics of new TATB. Task 3--Formulation of new LX-17-2 (with …

The design of integrated photonic structures poses considerable challenges. 3D-Time-Domain design tools are fundamental in enabling technologies such as all-optical logic, photonic bandgap sensors, THz imaging, and fast radiation diagnostics. Such technologies are essential to LLNL and WFO sponsors for a broad range of applications: encryption for communications and surveillance sensors (NSA, NAI and IDIV/PAT); high density optical interconnects for high-performance computing (ASCI); high-bandwidth instrumentation for NIF diagnostics; micro-sensor development for weapon miniaturization within the Stockpile Stewardship and DNT programs; and applications within HSO for CBNP detection devices. While there exist a number of photonics simulation tools on the market, they primarily model devices of interest to the communications industry. We saw the need to extend our previous software to match the Laboratory's unique emerging needs. These include modeling novel material effects (such as those of radiation induced carrier concentrations on refractive index) and device configurations (RadTracker bulk optics with radiation induced details, Optical Logic edge emitting lasers with lateral optical inputs). In addition we foresaw significant advantages to expanding our own internal simulation codes: parallel supercomputing could be incorporated from the start, and the simulation source code would be accessible for modification and extension. This work addressed Engineering's Simulation …

Motivated by the needs of large multi-physics simulation codes, we are interested in algebraic solvers for the linear systems arising in time-domain electromagnetic simulations. Our focus is on finite element discretization, and we are developing scalable parallel preconditioners which employ only fine-grid information, similar to algebraic multigrid (AMG) for diffusion problems. In the last few years, the search for efficient algebraic preconditioners for H(curl) bilinear forms has intensified. The attempts to directly construct AMG methods had some success, see [12, 1, 7]. Exploiting available multilevel methods on auxiliary mesh for the same bilinear form led to efficient auxiliary mesh preconditioners to unstructured problems as shown in [4, 8]. A computationally more attractive approach was recently proposed by Hiptmair and Xu [5]. In contrast to the auxiliary mesh idea, the method in [5] uses a nodal H{sup 1}-conforming auxiliary space on the same mesh. This significantly simplifies the computation of the corresponding interpolation operator. In the present talk, we consider several options for constructing unstructured mesh AMG preconditioners for H(curl) problems and report a summary of computational results from [10, 9]. Our approach is slightly different than the one from [5], since we apply AMG directly to variationally constructed coarse-grid operators, …

The work reported in this document was performed in support of a project entitled ''Double-Shell Tank (DST) Integrity Project - DST Thermal and Seismic Analyses''. The overall scope of the project is to complete an up-to-date comprehensive analysis of record of the DST System at Hanford. The work described herein was performed in support of the seismic analysis of the DSTs. The thermal and operating loads analysis of the DSTs is documented in Rinker et al. (2004). The work herein was motivated by review comments from a Project Review Meeting held on March 20-21, 2006. One of the recommendations from that meeting was that the effects of the interaction between the tank liquid and the roof be further studied (Rinker, Deibler, Johnson, Karri, Pilli, Abatt, Carpenter, and Hendrix - Appendix E of RPP-RPT-28968, Rev. 1). The reviewers recommended that solutions be obtained for seismic excitation of flat roof tanks containing liquid with varying headspace between the top of the liquid and the tank roof. It was recommended that the solutions be compared with simple, approximate procedures described in BNL (1995) and Malhotra (2005). This report documents the results of the requested studies and compares the predictions of Dytran simulations to …

The overall scope of the project is to complete an up-to-date comprehensive analysis of record of the SDT System at Hanford. The "Double-Shell Tank (DST) Integrity Project - DST Thermal and Seismic Project" is in support of Tri-Party Agreement Milestone M-48-14.

The electric field around a molecule is generated by the charge distribution of its constituents: positively charged atomic nuclei, which are well approximated by point charges, and negatively charged electrons, whose probability density distribution can be computed from quantum mechanics. For the purposes of molecular mechanics or dynamics, the charge distribution is often approximated by a collection of point charges, with either a single partial charge at each atomic nucleus position, representing both the nucleus and the electrons near it, or as several different point charges per atom. The critical points in the electric field are useful in visualizing its geometrical and topological structure, and can help in understanding the forces and motion it induces on a charged ion or neutral dipole. Most visualization tools for vector fields use only samples of the field on the vertices of a regular grid, and some sort of interpolation, for example, trilinear, on the grid cells. There is less risk of missing or misinterpreting topological features if they can be derived directly from the analytic formula for the field, rather than from its samples. This work presents a method which is guaranteed to find all the critical points of the electric field from …

The U.S. Department of Homeland Security (DHS) is responsible for developing systems to detect the release of aerosolized bioagents in urban environments. The system that accomplishes this, known as BioWatch, is a robust first-generation monitoring system. In conjunction with the BioWatch detection network, DHS has also developed a software tool for cities to use to assist in their response when a bioagent is detected. This tool, the Biological Warning and Incident Characterization (BWIC) System, will eventually be deployed to all BioWatch cities to aid in the interpretation of the public health significance of indicators from the BioWatch networks. BWIC consists of a set of integrated modules, including meteorological models, that estimate the effect of a biological agent on a city’s population once it has been detected. For the meteorological models in BWIC to successfully calculate the distribution of biological material, they must have as input accurate meteorological data, and wind fields in particular. The purpose of this document is to provide guidance for cities to use in identifying sources of good-quality local meteorological data that BWIC needs to function properly. This process of finding sources of local meteorological data, evaluating the data quality and gaps in coverage, and getting the …

The 9977/9978 General Purpose Fissile Package (GPFP) was designed by SRNL to replace the DOT 6M Specification Package and ship Plutonium and Uranium metals and oxides. Urethane foam was used for the overpack to ensure the package would withstand the 10CFR71.73(c)(2) crush test, which is a severe test for drum-type packages. In addition, it was necessary to confirm that the urethane foam configuration provided adequate thermal protection for the containment vessel during the subsequent 10CFR71.73(c)(4) thermal test. Development tests were performed on early prototype test specimens of different diameter overpacks and a range of urethane foam densities. The thermal test was performed using an industrial furnace. Test results were used to optimize the selection of package diameter and foam density, and provided the basis for design enhancements incorporated into the final package design.