The Gordon Research Conference (GRC) on 2004 Gordon Research Conference on Reversible Associations in Structure & Molecular Biology was held at Four Points Sheraton, CA, 1/25-30/2004. The Conference was well attended with 82 participants (attendees list attached). The attendees represented the spectrum of endeavor in this field coming from academia, industry, and government laboratories, both U.S. and foreign scientists, senior researchers, young investigators, and students.

This Gordon conference will cover the areas of structural, functional and evolutionary genomics. It will take a systematic approach to genomics, examining the evolution of proteins, protein functional sites, protein-protein interactions, regulatory networks, and metabolic networks. Emphasis will be placed on what we can learn from comparative genomics and entire genomes and proteomes.

This report is about 3D Arcing for Offset Measurements with a Hamar Laser on 7th International workshop on accelerator alignment.

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Aging and weathering can reduce the solar reflectance of cool roofing materials. This paper summarizes laboratory measurements of the solar spectral reflectance of unweathered, weathered, and cleaned samples collected from single-ply roofing membranes at various sites across the United States. Fifteen samples were examined in each of the following six conditions: unweathered; weathered; weathered and brushed; weathered, brushed and then rinsed with water; weathered, brushed, rinsed with water, and then washed with soap and water; and weathered, brushed, rinsed with water, washed with soap and water, and then washed with an algaecide. Another 25 samples from 25 roofs across the United States and Canada were measured in their unweathered state, weathered, and weathered and wiped. We document reduction in reflectivity resulted from various soiling mechanisms and provide data on the effectiveness of various cleaning approaches. Results indicate that although the majority of samples after being washed with detergent could be brought to within 90% of their unweathered reflectivity, in some instances an algaecide was required to restore this level of reflectivity.

Article on air to blood distribution of volatile organic compounds and a linear free energy analysis.

The recent advent of parallel machines with tens of thousands of processors is presenting new challenges for obtaining scalability. A particular challenge for large-scale scientific software is determining the inter-processor communications required by the computation when a global description of the data is unavailable or too costly to store. We present a type of rendezvous algorithm that determines communication partners in a scalable manner by assuming the global distribution of the data. We demonstrate the scaling properties of the algorithm on up to 32,000 processors in the context of determining communication patterns for a matrix-vector multiply in the hypre software library. Our algorithm is very general and is applicable to a variety of situations in parallel computing.

Article about Alice Carrington Foulz's and Linda Pace's appearances in Brilliant Magazine and their Portrait Show to be held on November 3, 2005.

Article on collective polarization effects in β-polyvinylidene fluoride and its copolymers with tri- and tetrafluoroethylene.

Urban areas tend to have higher air temperatures than their rural surroundings as a result of gradual surface modifications that include replacing the natural vegetation with buildings and roads. The term ''Urban Heat Island'' describes this phenomenon. The surfaces of buildings and pavements absorb solar radiation and become extremely hot, which in turn warm the surrounding air. Cities that have been ''paved over'' do not receive the benefit of the natural cooling effect of vegetation. As the air temperature rises, so does the demand for air-conditioning (a/c). This leads to higher emissions from power plants, as well as increased smog formation as a result of warmer temperatures. In the United States, we have found that this increase in air temperature is responsible for 5-10% of urban peak electric demand for a/c use, and as much as 20% of population-weighted smog concentrations in urban areas. Simple ways to cool the cities are the use of reflective surfaces (rooftops and pavements) and planting of urban vegetation. On a large scale, the evapotranspiration from vegetation and increased reflection of incoming solar radiation by reflective surfaces will cool a community a few degrees in the summer. As an example, computer simulations for Los Angeles, …

The properties of pentaamine (5-cyano-2H-tetrazolato-N2) cobalt (III) perchlorate (CP), which was first synthesized in 1968, continues to be of interest for predicting behavior in handling, shipping, aging, and thermal cook-off situations. We report coefficient of thermal expansion (CTE) values over four specific temperature ranges, decomposition kinetics using linear heating rates, and the reaction to three different types of stimuli: impact, spark, and friction. The CTE was measured using a Thermal Mechanical Analyzer (TMA) for samples that were uniaxially compressed at 10,000 psi and analyzed over a dynamic temperature range of -20 C to 70 C. Using differential scanning calorimetry, DSC, CP was decomposed at linear heating rates of 1, 3, and 7 C/min and the kinetic triplet calculated using the LLNL code Kinetics05. Values are also reported for spark, friction, and impact sensitivity.

An explosive bonding procedure for joining 9.5 mm thick niobium plate to 203 mm thick 6061-T651 Al plate has been developed in order to maximize the bond tensile and impact strengths and the amount of bonded material across the surface of the plate. This procedure improves upon previous efforts, in which the 9.5 mm thick niobium plate is bonded directly to 6061-T4 Al plate. In this improved procedure, thin Nb and Al interlayers are explosively clad between the thicker niobium and aluminum plates. Bonds produced using these optimized parameters display a tensile strength of approximately 255 MPa and an impact strength per unit area of approximately 0.148 J/mm{sup 2}. Specialized mechanical testing geometries and procedures are required to measure these bond properties because of the unique bond geometry. In order to ensure that differences in the thermal expansion coefficients of aluminum and niobium do not adversely affect the bond strength, the effects of thermal cycling at temperatures between -22 C and 45 C on the mechanical properties of these bonds have also been investigated by testing samples in both the as-received and thermal cycled conditions. Based on the results obtained from this series of mechanical tests, thermal cycling is shown …

The production of hydrogen via the thermochemical splitting of water is being considered as a primary means for utilizing the heat from advanced nuclear reactors to provide fuel for a hydrogen economy. The Hybrid Sulfur (HyS) Process is one of the baseline candidates identified by the U.S. Department of Energy [1] for this purpose. The HyS Process is a two-step hybrid thermochemical cycle that only involves sulfur, oxygen and hydrogen compounds. Recent work has resulted in an improved process design with a calculated overall thermal efficiency (nuclear heat to hydrogen, higher heating value basis) approaching 50%. Economic analyses indicate that a nuclear hydrogen plant employing the HyS Process in conjunction with an advanced gas-cooled nuclear reactor system can produce hydrogen at competitive prices. Experimental work has begun on the sulfur dioxide depolarized electrolyzer, the major developmental component in the cycle. Proof-of-concept tests have established proton-exchange-membrane cells (a state-of-the-art technology) as a viable approach for conducting this reaction. This is expected to lead to more efficient and economical cell designs than were previously available. Considerable development and scale-up issues remain to be resolved, but the development of a viable commercial-scale HyS Process should be feasible in time to meet the commercialization …

In-situ x-ray diffraction was used to study the response of single crystal iron under shock conditions. Measurements of the response of [001] iron showed a uniaxial compression of the initially bcc lattice along the shock direction by up to 6% at 13 GPa. Above this pressure, the lattice responded with a further collapse of the lattice by 15-18% and a transformation to a hcp structure. The in-situ measurements are discussed and results summarized.

Article on the dissociation of water on defective carbon substrates.

A Bragg waveguide consisting of multiple dielectric layers with alternating index of refraction becomes an excellent option to form electron accelerating structure powered by high power laser sources. It provides confinement of a synchronous speed-of-light mode with extremely low loss. However, laser field can not be coupled into the structure collinearly with the electron beam. There are three requirements in designing input coupler for a Bragg electron accelerator: side-coupling, selective mode excitation, and high coupling efficiency. We present a side coupling scheme using a distributed grating-assisted coupler to inject the laser power into the waveguide. Side coupling is achieved by a grating with a period on the order of an optical wavelength. The phase matching condition results in resonance coupling thus providing selective mode excitation capability. The coupling efficiency is limited by profile matching between the outgoing beam and the incoming beam, which has normally, a Gaussian profile. We demonstrate a non-uniform distributed grating structure generating an outgoing beam with a Gaussian profile, therefore, increasing the coupling efficiency.

In order to remove the dipole field introduced by the coupler in existing S-band BNL/SLAC/UCLA 1.6 cell RF gun, a dual feed design for the LCLS RF gun is proposed together with several significant changes. The improvements include adopting z-coupling instead of {theta}-coupling, modifying the iris dimensions and profile to increase 0- and {pi}-mode separation from 3.4 to 15MHz and reduce the surface field on the iris, incorporating racetrack cavity shape to minimize the quadrupole field, increasing cooling for operation at 120Hz and other small changes to improve performance and diagnostic capabilities. The 3D gun structure had been modeled with the parallel finite element complex eigensolver Omega3p to provide the desired RF parameters and to generate the gun cavity dimensions needed for fabrication. In this paper the RF gun design will be presented.

Monocrystalline copper samples with orientations of [001] and [221] were shocked at pressures ranging from 20 GPa to 60 GPa using two techniques: direct drive lasers and explosively driven flyer plates. The pulse duration for these techniques differed substantially: 40 ns for the laser experiments at 0.5 mm into the sample and 1.1 {approx} 1.4 {micro}s for the flyer-plate experiments at 5 mm into the sample. The residual microstructures were dependent on orientation, pressure, and shocking method. The much shorter pulse duration in the laser driven shock yielded microstructures closer to the ones generated at the shock front. For the flyer-plate experiments, the longer pulse duration allows shock-generated defects to reorganize into lower energy configurations. Calculations show that the post-shock cooling for the laser driven shock is 10{sup 3} {approx} 10{sup 4} faster than that for plate-impact shock, propitiating recovery and recrystallization conditions for the latter. At the higher pressure level, extensive recrystallization was observed in the plate-impact samples, while it was absent in the laser driven shock. An effect that is proposed to contribute significantly to the formation of recrystallized regions is the existence of micro-shear-bands, which increase the local temperature beyond the prediction from adiabatic compression.

Urban areas tend to have higher air temperatures than their rural surroundings as a result of gradual surface modifications that include replacing the natural vegetation with buildings and roads. The term ''Urban Heat Island'' describes this phenomenon. The surfaces of buildings and pavements absorb solar radiation and become extremely hot, which in turn warm the surrounding air. Cities that have been ''paved over'' do not receive the benefit of the natural cooling effect of vegetation. As the air temperature rises, so does the demand for air-conditioning (a/c). This leads to higher emissions from power plants, as well as increased smog formation as a result of warmer temperatures. In the United States, we have found that this increase in air temperature is responsible for 5-10% of urban peak electric demand for a/c use, and as much as 20% of population-weighted smog concentrations in urban areas. Simple ways to cool the cities are the use of reflective surfaces (rooftops and pavements) and planting of urban vegetation. On a large scale, the evapotranspiration from vegetation and increased reflection of incoming solar radiation by reflective surfaces will cool a community a few degrees in the summer. As an example, computer simulations for Los Angeles, …

Plutonium, because of its radioactive nature, ages from the 'inside out' by means of self-irradiation damage and thus produces nanoscale internal defects. The self-irradiation induced defects come in the form of Frenkel-type defects (vacancies and self-interstitial atoms), helium in-growth, and defect clusters. At present there are neither experimental nor theoretical models describing the changes in the electronic structure caused by the aging in Pu. This fact appears to be associated primarily with the absence of reasonably convincing spectroscopic evidence of the changes. This paper demonstrates that Resonant Photoemission, a variant of Photoelectron Spectroscopy, has strong sensitivity to aging of Pu samples. The spectroscopic results are correlated with an extra-atomic screening model [1], and are shown to be the fingerprint of mesoscopic or nanoscale internal damage in the Pu physical structure. This means that a spectroscopic signature of internal damage due to aging in Pu has been established.

Stacked Blumlein Pulse Generators comprised of parallel-plate transmission lines are potentially a useful pulse-power architecture for high-gradient, compact, electron-beam induction accelerators. However, like induction accelerators driven by other pulse-power architectures, it is generally a system requirement that the multi-stage accelerator structure be enclosed in a grounded metal enclosure so that the full beam voltage is not developed on the exterior of the machine. In the past, this has been accomplished by using magnetic cores to prevent the external metal case from shorting the accelerating field. However, magnetic cores are heavy, bulky, expensive, lossy, nonlinear, and therefore generally undesirable. Various core-free pulse architectures have been reported in the past. One class uses pairs of lines with widely different dielectric constants while another class uses combinations of open-circuit lines combined with short-circuit lines. These designs are encased in metal and support stackable output pulses without the need for magnetic isolation cores. These configurations are also known as bi-polar or zero-integral configurations because they produce a positive and negative voltage pulse with a net time integral of zero. Some of these designs are inefficient leaving substantial stored energy in the lines while others have never been realized as practical accelerating structures. We present …

Hard scattering in p-p collisions, discovered at the CERN ISR in 1972 by the method of leading particles, proved that the partons of Deeply Inelastic Scattering strongly interacted with each other. Further ISR measurements utilizing inclusive single or pairs of hadrons established that high p{sub T} particles are produced from states with two roughly back-to-back jets which are the result of scattering of constituents of the nucleons as described by Quantum Chromodynamics (QCD), which was developed during the course of these measurements. These techniques, which are the only practical method to study hard-scattering and jet phenomena in Au+Au central collisions at RHIC energies, are reviewed, as an introduction to present RHIC measurements.

A scheme for the solution of the time dependent Maxwell's equations on composite overlapping grids is described. The method uses high-order accurate approximations in space and time for Maxwell's equations written as a second-order vector wave equation. High-order accurate symmetric difference approximations to the generalized Laplace operator are constructed for curvilinear component grids. The modified equation approach is used to develop high-order accurate approximations that only use three time levels and have the same time-stepping restriction as the second-order scheme. Discrete boundary conditions for perfect electrical conductors and for material interfaces are developed and analyzed. The implementation is optimized for component grids that are Cartesian, resulting in a fast and efficient method. The solver runs on parallel machines with each component grid distributed across one or more processors. Numerical results in two- and three-dimensions are presented for the fourth-order accurate version of the method. These results demonstrate the accuracy and efficiency of the approach.

Trajectory simulations from Earth to orbit indicate comparative velocity requirements depending on vehicle size, for several propellant options. Smaller vehicles are more affected by drag, resulting in steeper trajectories that require more total velocity. Although they are technically challenging, launch vehicles smaller than 1 ton are not ruled out by the nature of ascent trajectories.