This paper highlights a three-year project by an interdisciplinary team on a legacy F77 computational fluid dynamics code, with the aim of demonstrating that implicit unstructured grid simulations can execute at rates not far from those of explicit structured grid codes, provided attention is paid to data motion complexity and the reuse of data positioned at the levels of the memory hierarchy closest to the processor, in addition to traditional operation count complexity. The demonstration code is from NASA and the enabling parallel hardware and (freely available) software toolkit are from DOE, but the resulting methodology should be broadly applicable, and the hardware limitations exposed should allow programmers and vendors of parallel platforms to focus with greater encouragement on sparse codes with indirect addressing. This snapshot of ongoing work shows a performance of 15 microseconds per degree of freedom to steady-state convergence of Euler flow on a mesh with 2.8 million vertices using 3072 dual-processor nodes of ASCI Red, corresponding to a sustained floating-point rate of 0.227 Tflop/s.

Several candidate container materials have been studied in modified Yucca Mountain (YM) ground water in the presence or absence of YM bacteria. YM bacteria increased corrosion rates by 5-6 fold in UNS G10200 carbon steel, and nearly 100-fold in UNS NO4400 Ni-Cu alloy. YM bacteria caused microbiologically influenced corrosion (MIC) through de-alloying or Ni-depletion of Ni-Cu alloy as evidenced by scanning electronic microscopy (SEM) and inductively coupled plasma spectroscopy (ICP) analysis. MIC rates of more corrosion-resistant alloys such as UNS NO6022 Ni-Cr- MO-W alloy, UN's NO6625 Ni-Cr-Mo alloy, and UNS S30400 stainless steel were measured below 0.05 umyr, however YM bacteria affected depletion of Cr and Fe relative to Ni in these materials. The chemical change on the metal surface caused by depletion was characterized in anodic polarization behavior. The anodic polarization behavior of depleted Ni-based alloys was similar to that of pure Ni. Key words: MIC, container materials, YM bacteria, de-alloying, Ni-depletion, Cr-depletion, polarization resistance, anodic polarization,

Under the likely scenario in which public support for nuclear energy remains low and fossil fuels continue to be abundant and cheap, government supported nuclear research centers must adapt their missions to ensure that they tackle problems of current significance. It will be critical to be multidisciplinary, to generate economic value, and to apply nuclear competencies to current problems. Addressing problems in nuclear safety, D and D, nuclear waste management, nonproliferation, isotope production are a few examples of current needs in the nuclear arena. Argonne's original mission, to develop nuclear reactor technology, was a critical need for the U.S. in 1946. It would be wise to recognize that this mission was a special instance of a more general one--to apply unique human and physical capital to long term, high risk technology development in response to society's needs. International collaboration will enhance the collective chances for success as the world moves into the 21st century.

Presented are the most recent jet fragmentation results from CDF: inclusive distributions of charged particle momenta and their k{sub T} in jets; average track multiplicities, as well as angular distributions of multiplicity flow, for a wide range of jet energies with E{sub T} from 40 to 300 GeV. The results are compared with Monte-Carlo and, when possible, analytical calculations performed in resumed perturbative QCD approximations (MLLA).

Results of high-energy synchrotrons radiation experiments are presented demonstrating the advantages of the atomic Pair Distribution Function technique in determining the structure of materials with high resolution.

Argonne National Laboratory has completed the construction of a Website for the US Department of Energy (DOE) that provides detailed information on salt caverns and their use for disposing of nonhazardous oil field wastes (NOW) and naturally occurring radioactive materials (NORM). Specific topics in the Website include the following: descriptions of salt deposits and salt caverns within the US, salt cavern construction methods, potential types of wastes, waste emplacement, regulatory issues, costs, carcinogenic and noncarcinogenic human health risks associated with postulated cavern release scenarios, new information on cavern disposal (e.g., upcoming meetings, regulatory issues, etc.), other studies supported by the National Petroleum Technology Office (NPTO) (e.g., considerations of site location, cavern stability, development issues, and bedded salt characterization in the Midland Basin), and links to other associated Web sites. In addition, the Website allows downloadable access to reports prepared on the topic that were funded by DOE. Because of the large quantities of NOW and NORM wastes generated annually by the oil industry, information presented on this Website is particularly interesting and valuable to project managers, regulators, and concerned citizens.

Imaging through biologic tissue relies on the discrimination of weakly scattered from multiply scattered photons. The degree of polarization can be used as the discrimination criterion by which to reject multiply scattered photons. Polarized light propagation through biologic tissue is typically studied using tissue phantoms consisting of dilute aqueous suspensions of microsphere. We show that, although such phantoms are designed to match the macroscopic scattering properties of tissue (i.e.. the scattering coefficient, {mu}{sub 3}, and scattering anisotropy, g), they do not accurately represent biologic tissue for polarization-sensitive studies. In common tissue phantoms, such as dilute Intralipid and dilute 1-{micro}m-diameter polystyrene microsphere suspensions, we find that linearly polarized light is depolarized more quickly than circularly polarized light. In dense tissue, however, where scatterers are often located in close proximity to one another, circularly polarized light is depolarized similar to or more quickly than linearly polarized light. We also demonstrate that polarized light propagates differently in dilute versus densely packed microsphere suspensions, which may account for the differences seen between polarized light propagation in common dilute tissue phantoms versus dense biologic tissue.

Using CARM (Computer Aided Reduction Method), a computer program that automates the mechanism reduction process, a variety of different reduced chemical kinetic mechanisms for ethylene and n-heptane have been generated. The reduced mechanisms have been compared to detailed chemistry calculations in simple homogeneous reactors and experiments. Reduced mechanisms for combustion of ethylene having as few as 10 species were found to give reasonable agreement with detailed chemistry over a range of stoichiometries and showed significant improvement over currently used global mechanisms. The performance of reduced mechanisms derived from a large detailed mechanism for n-heptane was compared to results from a reduced mechanism derived from a smaller semi-empirical mechanism. The semi-empirical mechanism was advantageous as a starting point for reduction for ignition delay, but not for PSR calculations. Reduced mechanisms with as few as 12 species gave excellent results for n-heptane/air PSR calculations but 16-25 or more species are needed to simulate n-heptane ignition delay.

An ion linac formed of superconducting rf cavities can provide a multi-beam driver accelerator for the production of nuclei far from stability. A multi-beam driver supports a wide variety of production reactions and methods. This paper outlines a concept for a 1.3 GV linac capable of delivering several hundred kilowatts of uranium beam at an energy of 400 MeV per nucleon. The linac would accelerate the full mass range of ions, and provide higher velocities for the lighter ions, for example 730 MeV for protons. The accelerator will consist of an ECR ion source injecting a normally conducting RFQ and four short IH structures, then feeding an array of more than 400 superconducting cavities of six different types, which range in frequency from 58 to 700 MHz. A novel feature of the linac is the acceleration of beams containing more than one charge state through portions of the linac, in order to maximize beam current for the heavier ions. Such operation is made feasible by the large transverse and longitudinal acceptance provided by the large aperture and high gradient which are characteristic of superconducting rf cavities.

With in mind improving the cycle performance of 4V class lithium manganese oxide positive electrode material for the lithium secondary battery, the authors have been investigating the effects of partial substitution of Mn by another metal. The crystal phase transition in the quaternary spinel LiMn{sub 2{minus}x}Mg{sub x}O{sub 4} was studied by neutron powder diffraction at 200K and DSC measurements at low temperatures. They find that substituting Mn by Mg resulted in a more stable crystal structure with the Jahn-Teller transition suppressed down to low temperature. The charge-discharge characteristics of these positive electrode active materials were investigated at 4V range. Although the discharge capacity decreased with increasing Mg content, the cycle performance was improved with increasing Mg content.

Steady-state creep and joining of alumina/zirconia composites containing alumina volume fractions of 20, 60, and 85% have been investigated between 1,250 and 1,350 C. Superplasticity of these compounds is controlled by grain-boundary sliding and the creep rate is a function of alumina volume fraction, not grain size. Using the principles of superplasticity, pieces of the composite have been joined by applying the stress required to achieve 5 to 10% strain to form a strong interface at temperatures as low as 1,200 C.

The structural integrity of flawed steam generator tubing with Electrosleeves{trademark} under simulated severe accident transients was analyzed by analytical models that used available material properties data and results from high-temperature tests conducted on Electrosleeved tubes. The Electrosleeve material is almost pure Ni and derives its strength and other useful properties from its nanocrystalline microstructure, which is stable at reactor operating temperatures. However, it undergoes rapid grain growth, at the high temperatures expected during severe accidents, resulting in a loss of strength and a corresponding decrease in flow stress. The magnitude of this decrease depends on the time-temperature history during the accident. Failure tests were conducted at ANL and FTI on internally pressurized Electrosleeved tubes with 80% and 100% throughwall machined axial notches in tie parent tubes that were subjected to simulated severe accident temperature transients. The test results, together with the analytical model, were used to estimate the unaged flow stress curve of the Electrosleeved material at high temperatures. Failure temperatures for Electrosleeved tubes with throughwall and part-throughwall axial cracks of various lengths in the parent tubes were calculated for a postulated severe accident transient.

A model of superconductivity in layered high-temperature superconducting cuprates is proposed, based on the extended saddle point singularities in the electron spectrum, weak screening of the Coulomb interaction and phonon-mediated interaction between electrons plus a small short-range repulsion of Hund's, or spin-fluctuation, origin. This permits to explain the large values of {Tc}, features of the isotope effect on oxygen and copper, the existence of two types of the order parameter, the peak in the inelastic neutron scattering, the positive curvature of the upper critical field, as function of temperature etc.

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Positron emission tomography (PET) studies mapping monoamine oxidase in the human brain have been used to measure the turnover rate for MAO B; to determine the minimum effective dose of a new MAO inhibitor drug lazabemide and to document MAO inhibition by cigarette smoke. These studies illustrate the power of PET and radiotracer chemistry to measure normal biochemical processes and to provide information on the effect of drug exposure on specific molecular targets.

Using a subset of data collected in the 1996-97 fixed target run at Fermilab, the authors report the first preliminary measurement on the direct-CP violation from the KTeV experiment. The result is, e{prime}/e = (28.0-4.1) x 10{sup {minus}4}, nearly 7 standard deviations above zero obtained by a blind analysis. This establishes the long-sought direct-CP violation effect in the two-pion system of neutral kaon decays. The experimental technique, data analysis and systematic checks for this measurement are discussed and the comparison with other measurements is also presented.

Using a subset of data collected in the 1996-97 fixed target run at Fermilab, the authors report the first preliminary measurement on the direct-CP violation from the KTeV experiment. The result is, e{prime}/e = (28.0-4.1) x 10{sup {minus}4}, nearly 7 standard deviations above zero obtained by a blind analysis. This establishes the long-sought direct-CP violation effect in the two-pion system of neutral kaon decays. The experimental technique, data analysis and systematic checks for this measurement are discussed and the comparison with other measurements is also presented.

The authors describe three recent results from D0 related to the top quark: a preliminary measurement of the t{bar t} spin correlation in top quark pair production, a search for top quark decays into charged Higgs bosons, and an improved cross section analysis in the t{bar t} {r_arrow} e{mu} channel using neural networks.

A model for transient infiltration into a periodically fractured porous layer is presented. The fracture is treated as a permeable-walled slot and the moisture distribution is in the form of a slug being an advancing meniscus. The wicking of moisture from the fracture to the unsaturated porous matrix is a nonlinear diffusion process and is approximately by self-similar solutions. The resulting model is a nonlinear Volterra integral equation with a weakly singular kernel. Numerical analysis provides solutions over a wide range of the parameter space and reveals the asymptotic forms of the penetration of this slug in terms of dimensionless variables arising in the model. The numerical solutions corroborate asymptotic results given earlier by Nitao and Buscheck (1991), and by Martinez (1988). Some implications for the transport of liquid in fractured rock are discussed.

This paper gives a historical account of the development of spinel electrodes for rechargeable lithium batteries. Research in the late 1970's and early 1980's on high-temperature . Li/Fe{sub 3}O{sub 4} cells led to the evaluation of lithium spinels Li[B{sub 2}]X{sub 4} at room temperature (B = metal cation). This work highlighted the importance of the [B{sub 2}]X{sub 4}spinel framework as a host electrode structure and the ability to tailor the cell voltage by selection of different B cations. Examples of lithium-ion cells that operate with spinel anode/spinel cathode couples are provided. Particular attention is paid to spinels within the solid solution system Li{sub 1+x}Mn{sub 2-x}O{sub 4} (0 {le} x {le} 0.33).

The excellent high temperature strength and thermal conductivity of molybdenum-base alloys provide attractive features for components in advanced magnetic and inertial fusion devices. Refractory metal base alloys react readily with oxygen and other gases, and molybdenum alloys are susceptible to losses from highly volatile molybdenum trioxide (MoO{sub 3}) species. Transport of radioactivity by the volatilization, migration, and re-deposition of MoO{sub 3} during a potential accident involving a loss of vacuum or inert environment represents a safety issue. The authors have experimentally measured the oxidation, volatilization and re-deposition of molybdenum from TZM in flowing air between 400 and 800 C. Calculations using chemical thermodynamic data for vapor pressures over pure MoO{sub 3} and a vaporization mass transfer model correlate well with experimental data between 600 and 800 C. Partial saturation of MoO{sub 3} gas species account for influences of flow rate at 700 C. Some anomalies in oxidation rate below 650 C, suggesting that other phases, e.g., MoO{sub 2} or other non-stoichiometric oxides may influence oxidation and volatilization processes under some limited conditions.

Article on an ab initio investigation of halocarbenes.

Over the last two decades, calorimetry baaed on organic scintillators has developed into an excellent technology for many experimental situations in high energy physics. The primary difficulty, that of extracting the light signals, has benefited from two milestone innovations. The first was the use of wavelength-shifting bars to allow light to be efficiently collected from large areas of scintillator and then readily piped to a readout device. The second of these was the extension of this approach to plastic wavelength-shifting optical fibers whose great flexibility and small diameter allowed a minimum of detector volume to be compromised by the read-out. These two innovations coupled with inventiveness have produced many varied and successful calorimeters. Equal response to both hadronic and electromagnetic showers can be realized in scintillator-based calorimeters. However, in general this is not the case and it is likely that in the search for greater performance, in the future, combined tracking and calorimeter systems will be required.

The acceleration stages for a muon collider require that the muons be accelerated within a given ring in fewer than twenty turns. One type of accelerator that appears to be attractive for a synchrotron that accelerates the muon a factor of four in energy in a few turns is the Fixed Field Alternating Gradient (FFAG) type of accelerator. As the energy of the muon beam increases, the muons move toward a higher field region of a DC combined function dipole. The following dipole and quadrupole magnet characteristics are required for a muon FFAG machine to be successful: (1) The dipole will be a fixed field dipole with an impressed quadrupole and sextupole field. There may or may not be separate quadrupoles that mayor may not have added sextupole windings. (2) The horizontal aperture of the required good field region is wider than the vertical aperture of the required good field region. (3) The magnet is relatively short, so that the conventional SSC type of superconducting dipole or quadrupole ends can not be used. The field at the end of the magnet must fall off abruptly within the distance of less than one vertical aperture. For a magnet that is 400 …