Increasingly in industry, software design and implementation is object-oriented, developed in C++ or Java, and relies heavily on pre-existing software libraries (e.g. the Microsoft Foundation Classes for C++, the Java API for Java). A similar but more tentative trend is developing in high-performance parallel scientific computing. The transition from serial to parallel application development considerably increases the need for library support: task creation and management, data distribution and dynamic redistribution, and inter-process and inter-processor communication and synchronization must be supported. PADRE is a library to support the interoperability of parallel applications. We feel there is significant need for just such a tool to compliment the many domain-specific application frameworks presently available today, but which are generally not interoperable.

Modern antennas especially arrays are being placed in layers of materials on complex environments. This technique produces aesthetically pleasing structures if necessary, allows for more freedom in structure planning, and can improve antenna performance. In the past, buried antennas have been studied by numerous authors such as in Reference. Recent work on this subject uses spectral and/or numerical moment method formulations. For high frequency analysis it is important to find efficient and accurate methods for design purposes. A rigorous recursive method for plane waves reflection and transmission coefficients by Richmond has been used in the past for dipoles above multilayer slabs. This solution is modified in this paper to account for forward and backward traveling rays with appropriate spread factors for a dipole in the media. Extensive validation for this approximate method shows good agreement with a Method of Moments code. This code is developed at Lawrence Livermore National Laboratory. The geometry for these comparisons uses a dipole in nontruncated dielectric multilayer slabs.

Both ErbB1 and ErbB2 are overexpressed or amplified in breast tumors. To examine the effects of activating ErbB receptors in a context that mimics polarized epithelial cells in vivo, we activated ErbB1 and ErbB2 homodimers in preformed, growth-arrested mammary acini cultured in three-dimensional basement membrane gels. Activation of ErbB2, but not that of ErbB1, led to a reinitiation of cell proliferation and altered the properties of mammary acinar structures. These altered structures share several properties with early-stage tumors, including a loss of proliferative suppression, an absence of lumen, retention of the basement membrane and a lack of invasive properties. ErbB2 activation also disrupted tight junctions and the cell polarity of polarized epithelia, whereas ErbB1 activation did not have any effect. Our results indicate that ErbB receptors differ in their ability to induce early stages of mammary carcinogenesis in vitro and this three-dimensional model system can reveal biological activities of oncogenes that cannot be examined in vitro in standard transformation assays.

We determined the complete mtDNA sequences of the millipedes Narceus annularus and Thyropygus sp. (Arthropoda: Diplopoda) and identified in both genomes all 37 genes typical for metazoan mtDNA. The arrangement of these genes is identical in the two millipedes, but differs from that inferred to be ancestral for arthropods by the location of four genes/gene clusters. This novel gene arrangement is unusual for animal mtDNA, in that genes with opposite transcriptional polarities are clustered in the genome and the two clusters are separated by two non-coding regions. The only exception to this pattern is the gene for cysteine tRNA, which is located in the part of the genome that otherwise contains all genes with the opposite transcriptional polarity. We suggest that a mechanism involving complete mtDNA duplication followed by the loss of genes, predetermined by their transcriptional polarity and location in the genome, could generate this gene arrangement from the one ancestral for arthropods. The proposed mechanism has important implications for phylogenetic inferences that are drawn on the basis of gene arrangement comparisons.

We present the result of our most recent search for T-violation in 205Tl, which is interpreted in terms of an electric dipole moment of the electron de. We find de = (6.9 plus/minus 7.4) times 10{sup -28} e cm. The present apparatus is a major upgrade of the atomic beam magnetic resonance device used to set the previous limit on de.

A high-temperature (300 C), high-pressure (18 MPa), and high-leak rate (1500 L/min) facility, and a room temperature, high-pressure (52 MPa) test facility were used to test flawed steam generator tubes. Single and multiple rectangular flaws were fabricated by electro-discharge machining on the outside surface of the tubes. This paper briefly reviews analytical methods for predicting ligament rupture and unstable burst of tubes with single and multiple rectangular flaws. Test data are presented to validate the failure models. The ligament rupture pressure of specimens with multiple flaws predicted by an equivalent rectangular crack method agree fairly well with measured data.

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A summary of measurements from the first year's run at RHIC is presented. The second year's run at RHIC is presently underway with Au+Au (300 {micro}b{sup -1}) and p-p (3.5 pb{sup -1}) collisions planned at {radical}s{sub NN} = 200 GeV.

An adaptive path planning algorithm is presented for cooperating Unmanned Air Vehicles (UAVs) that are used to deploy and operate land-based sensor networks. The algorithm employs a global cost function to generate paths for the UAVs, and adapts the paths to exceptions that might occur. Examples are provided of the paths and adaptation.

The authors discuss the decay of axion walls bounded by strings and present numerical simulations of the decay process. In these simulations, the decay happens immediately, in a time scale of order the light travel time, and the average energy of the radiated axions is <w{sub a}> {approx_equal} 7m{sub a} for v{sub a}/m{sub a} {approx_equal} 500. <w{sub a}> is found to increase approximately linearly with ln(v{sub a}/m{sub a}). Extrapolation of this behavior yields <w{sub a}> {approx_equal} 60 m{sub a} in axion models of interest.

Adaptive mesh refinement is complicated by both the algorithms and the dynamic nature of the computations. In parallel the complexity of getting good performance is dependent upon the architecture and the application. Most attempts to address the complexity of AMR have lead to the development of library solutions, most have developed object-oriented libraries or frameworks. All attempts to date have made numerous and sometimes conflicting assumptions which make the evaluation of performance of AMR across different applications and architectures difficult or impracticable. The evaluation of different approaches can alternatively be accomplished through simulation of the different AMR processes. In this paper we outline our research work to simulate the processing of adaptive mesh refinement grids using a distributed array class library (P++). This paper presents a combined analytic and empirical approach, since details of the algorithms can be readily predicted (separated into specific phases), while the performance associated with the dynamic behavior must be studied empirically. The result, AMRSim, provides a simple way to develop bounds on the expected performance of AMR calculations subject to constraints given by the algorithms, frameworks, and architecture.

Lowering the costs of front-end processes in the geologic sequestration of CO{sub 2} can dramatically lower the overall costs. One approach is to sequester less-pure CO{sub 2} waste streams that are less expensive or require less energy to separate from flue gas, a coal gasification process, etc. The objective of this research is to evaluate the impacts of an impure CO{sub 2} waste stream on geologic sequestration using both reaction progress and reactive transport simulators. The simulators serve as numerical laboratories within which a series of computational experiments can be designed, carried out, and analyzed to quantify sensitivity of the overall injection/sequestration process to specific compositional, hydrologic, structural, thermodynamic, and kinetic parameters associated with the injection fluid and subsurface environment.

Lawrence Livermore National Laboratory (LLNL) is a large Superfund site in California that is implementing an extensive ground water remediation program. The site is underlain by a thick sequence of heterogeneous alluvial sediments. Defining ground-water flow pathways in this complex geologic setting is difficult. To better evaluate these pathways, a deterministic approach was applied to define hydrostratigraphic units (HSUS) on the basis of identifiable hydraulic behavior and contaminant migration trends. The conceptual model based on this approach indicates that groundwater flow and contaminant transport occurs within packages of sediments bounded by thin, low-permeability confining layers. To aid in the development of the remediation program, a three-dimensional finite-element model was developed for two of the HSUS at LLNL. The primary objectives of this model are to test the conceptual model with a numerical model, and provide well field management support for the large ground-water remediation system. The model was successfully calibrated to 12 years of ground water flow and contaminant transport data. These results confirm that the thin, low-permeability confining layers within the heterogeneous alluvial sediments are the dominant hydraulic control to flow and transport. This calibrated model is currently being applied to better manage the large site-wide ground water extraction …

Libraries arise naturally from the increasing complexity of developing scientific applications, the optimization of libraries is just one type of high-performance optimization. Many complex applications areas can today be addressed by domain-specific object-oriented frameworks. Such object-oriented frameworks provide an effective compliment to an object-oriented language and effectively permit the design of what amount to essentially domain-specific languages. The optimization of such a domain-specific library/language combination however is particularly complicated due to the inability of the compiler to optimize the use of the libraries abstractions. The recognition of the use of object-oriented abstractions within user applications is a particularly difficult but important step in the optimization of how objects are used within expressions and statements. Such recognition entails more than just complex pattern matching. The approach presented within this paper uses specially built grammars to parse the C++ representation. The C++ representation is itself obtained using a modified version of the SAGE II C/C++ source code restructuring tool which is inturn based upon the Edison Design Group (EDG) C++ front-end. ROSETTA is a tool which automatically builds grammars and parsers from class definitions, associated parsers parse abstract syntax trees (ASTs) of lower level grammars into ASTs of higher level grammars. The …

Knowledge of an effective interatomic potential function underlies any effort to predict or rationalize the properties of solids and liquids. The experiments we undertake are directed towards determination of equilibrium and dynamic properties of simple fluids at densities sufficiently high that traditional computational methods and semi-empirical forms successful at ambient conditions may require reconsideration. In this paper we present high-pressure and temperature experimental sound speed data on a simple fluid, methanol. Impulsive Stimulated Light Scattering (ISLS) conducted on diamond-anvil cell (DAC) encapsulated samples offers an experimental approach to determine cross-pair potential interactions through equation of state determinations. In addition the kinetics of structural relaxation in fluids can be studied. We compare our experimental results with our thermochemical computational model Cheetah. Computational models are systematically improved with each addition of experimental data.

Hardware performance counters are CPU registers that count data loads and stores, cache misses, and other events. Counter data can help programmers understand software performance. Although CPUs typically have multiple counters, each can monitor only one type of event at a time, and some counters can monitor only certain events. Therefore, some CPUs cannot concurrently monitor interesting combinations of events. Software multiplexing partly overcomes this limitation by using time sharing to monitor multiple events on one counter: However; counter multiplexing is harder to implement for multithreaded programs than for single-threaded ones because of certain difficulties in managing the length of the time slices. This paper describes a software library called MPX that overcomes these difficulties. MPX allows applications to gather hardware counter data concurrently for any combination of countable events. MPX data are typically within a few percent of counts recorded without multiplexing.

The energy required to ignite compressed deuterium-tritium fuel is a strong function of the fuel density. Through a series of detailed numerical simulations, peak fuel densities have been calculated as a function of the peak radiation drive temperature. Note that the time dependence of the radiation temperature (pulse shaping) has been optimized to obtain maximum density for each scaling point. A simple analytic scaling is developed, which agrees well with the numerical results. These scaling results are then used to obtain the required ignition energy as a function of peak drive temperature.

For many years it has been speculated that excited nuclei would undergo a liquid to vapor phase transition. For even longer, it has been known that clusterization in a vapor carries direct information on the liquid-vapor equilibrium according to Fisher's droplet model. Now the thermal component of the 8 GeV/c pion + 197 Au multifragmentation data of the ISiS Collaboration is shown to follow the scaling predicted by Fisher's model, thus providing the strongest evidence yet of the liquid to vapor phase transition.

Moisture engineering is becoming an important task in the overall design of building enclosures in both North America and Europe. Several methods may be used to design wall systems, and modeling is definitively the most flexible approach. There is an increasing demand for calculation methods to assess the moisture behavior of building components. In North America alone, the estimated cost in increased energy consumption due to the presence of moisture is approximately $1 billion dollars annually. Current tasks, such as preserving historical buildings or restoring and insulating existing buildings are closely related to the moisture tolerance in a building structure. Calculative analyses are becoming increasingly important due to the expensive and time-consuming experimental investigations and the limited transferability to real situations. The Oak Ridge National Laboratory (Building Technology Center) and the Fraunhofer Institute for Building Physics in an international collaboration h ave jointly developed a moisture engineering assessment model that predicts the transient transport of heat and moisture. This model, WUFI-ORNL/IBP is now available in North America free of charge, and can be downloaded via the Internet at: www.ornl.gov/btc/moisture. The unique features of this particular model are that it incorporates vapor and diffusion transport mechanism, along with realistic boundary conditions …

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Numerous studies have been done on developing new electrolytes for lithium batteries with high ionic conductivity, and good chemical and electrochemical stability. In addition to the research on new salts and solvents, the use of cation receptors to reduce ion pairing in non-aqueous electrolytes has been considered as an approach to improve the properties of electrolytes. Although both cation and anion receptors enhance the dissociation of ion pairs and increase the conductivity of electrolytes, the use of anion receptors is more attractive for a lithium battery electrolyte because anion receptors increase the lithium transference number in the electrolyte. However, most available neutral anion receptors complex with anions through hydrogen binding and cannot be used in lithium batteries. Recently, we have reported on synthesis of a series of new neutral boron compounds as anion receptors based on the idea that electron-deficient boron would complex the anion of the ion pair. The anion complexation effect of these boron compounds was further enhanced by attaching electron-withdrawing groups. Here we report synthesis of another new family of boronate compounds. The effect of these new compounds on conductivity of lithium salts in non-aqueous solution was studied. The molecular weights of these new boronate compounds are …

Microcantilevers are key components of many Micro-Electro-Mechanical Systems (MEMS) and Micro-Optical-Electro-Mechanical Systems (MOEMS) because slight changes to them physically or chemically lead to changes in mechanical characteristics. An inexpensive dual-fiberoptic microcantilever proximity sensor and model to predict its performance are reported here. Motion of a magnetic-material-coated cantilever is the basis of a system under development for measuring magnetic fields. The dual fiber proximity sensor will be used to monitor the motion of the cantilever. The specific goal is to sense induction fields produced by a current carrying conductor. The proximity sensor consists of two fibers side by side with claddings in contact. The fiber core diameter, 50 microns, and cladding thickness, 10 microns, are as small as routinely available commercially with the exception of single mode fiber. Light is launched into one fiber from a light-emitting diode (LED). It emerges from that fiber and reflects from the cantilever into the adjacent receiving fiber connected to a detector. The sensing end is cast molded with a diameter of 3-mm over the last 20-mm, yielding a low profile sensor. This reflective triangulation approach is probably the oldest and simplest fiber proximity sensing approach, yet the novelty here is in demonstrating high sensitivity …

Thermoelastic response of liquid metal targets exposed to high-volumetric-energy deposition in times shorter than the target hydrodynamic response time (i.e., sound travel time) is of interest to several research areas, including targets for high-power accelerators such as the Spallation Neutron Source, muon collider targets, etc. Sudden energy deposition causes shock and rarefaction waves of magnitude {+-} {Delta}P that corresponds to an initial thermal pressure of tens of katm. Nevertheless a liquid subjected to a negative pressure is metastable. The problem of liquid target oscillations in the presence of large negative pressure, and the mechanism of fragmentation and its consequences, are considered in this paper.

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