Density functional theory was used to investigate the mechanism and kinetics of methanol oxidation to formaldehyde over vanadia supported on silica, titania, and zirconia. The catalytically active site was modeled as an isolated VO{sub 4} unit attached to the support. The calculated geometry and vibrational frequencies of the active site are in good agreement with experimental measurements both for model compounds and oxide-supported vanadia. Methanol adsorption is found to occur preferentially with the rupture of a V-O-M bond (M = Si, Ti, Zr) and with preferential attachment of a methoxy group to V. The vibrational frequencies of the methoxy group are in good agreement with those observed experimentally as are the calculated isobars. The formation of formaldehyde is assumed to occur via the transfer of an H atom of a methoxy group to the O atom of the V=O group. The activation energy for this process is found to be in the range of 199-214 kJ/mol and apparent activation energies for the overall oxidation of methanol to formaldehyde are predicted to lie in the range of 112-123 kJ/mol, which is significantly higher than that found experimentally. Moreover, the predicted turnover frequency (TOF) for methanol oxidation is found to be essentially …

The flavor structure of the nucleon as revealed in parton distributions (PDF's) is central to understanding the partonic structure of the nucleon. Recent data on unpolarized PDF's and their implications for the flavor-dependent quark helicity distributions are discussed. Results are presented for spin asymmetries in inclusive and semi-inclusive cross sections for production of pions, and kaons measured by the HERMES experiment in deep-inelastic scattering of polarized positrons on proton and deuterium Targets. A full 5 component extraction of polarized quark distributions for u, d, {bar u}, {bar d}, and (s + {bar s}) is reported. Resulting valence quark distributions conform to results of earlier experiments. There is no evidence for a significant polarization of the light sea. In contrast to the conclusions inferred from studies of polarized inclusive scattering, a leading order analysis of the HERMES data suggests a zero or slightly positive polarization of the strange sea. There is no evidence for a measurable flavor asymmetry in the polarized distributions for the light sea.

RF cavities are among the most complex components of a particle accelerator. They perform optimally when all electrical, mechanical and vacuum requirements are fully integrated. This paper focuses on the mechanical design features of the new 53MHz room-temperature RF cavities (including their ancillary components) for the X-ray Ring at the National Synchrotron Light Source (NSLS). Differences between the new and previous designs of the RF cavities, input couplers, Higher-Order-Mode (HOM) dampers, and cooling and vacuum systems are reviewed. Thus far, two out of four units have already been constructed, tested, and installed into the X-Ray ring, and two additional RF cavities are planned. The features incorporated into the new all-copper RF cavities have already demonstrated superior performance over the original copper-plated steel design. The operating performance results along with some of manufacturing challenges are presented.

The mechanical design considerations are discussed with respect to the currently installed X-13 and future X-29 MGU. Comparisons to the previous 2 generations of variable small-gap undulator evolution in the NSLS X-ray ring are made and design improvements noted. The design requirements and mechanical difficulties for holding, positioning and driving the magnetic arrays are explored. Structural, thermal and electrical considerations which influenced the design are then analyzed. The mechanical performance of the MGU currently installed at X-13 is examined and future installations and enhancements are presented.

Complexity Theory is the study of order within otherwise chaotic systems (Holland, 1999). Complexity Theory often focuses on Complex Adaptive Systems (CAS). A CAS is a system of components that interact and reproduce while adapting to their environment. A CAS consists of large numbers of components that are diverse in both form and capability. A CAS exhibits unstable coherence in spite of constant disruptions and a lack of central planning. Large-scale, interconnected infrastructures such as communication networks are CAS. These infrastructures are vastly more dynamic than their predecessors. Such infrastructures consist of a large number of components and participants that are diverse in both form and capability. Furthermore, these infrastructures exhibit unstable coherence in spite of constant disruptions and a lack of central planning. Viewing large-scale, interconnected infrastructures with complex physical architectures, such as communication networks, as CAS can provide many new insights (Bower and Bunn, 2000; North, 2000a, 2000b, and 2001). The CAS approach emphasizes the specific evolution of integrated infrastructures and their participants' behavior, not just simple trends or end states. The adaptation of the infrastructure participants to changing conditions is paramount. Also, the effects of random events and uncertainty are explicitly considered. One powerful computational approach to …

Electricity systems are a central component of modern economies. Many electricity markets are transitioning from centrally regulated systems to decentralized markets. Furthermore, several electricity markets that have recently undergone this transition have exhibited extremely unsatisfactory results, most notably in California. These high stakes transformations require the introduction of largely untested regulatory structures. Suitable tools that can be used to test these regulatory structures before they are applied to real systems are required. Multi-agent models can provide such tools. To better understand the requirements such as tool, a live electricity market simulation was created. This experience helped to shape the development of the multi-agent Electricity Market Complex Adaptive Systems (EMCAS) model. To explore EMCAS' potential, several variations of the live simulation were created. These variations probed the possible effects of changing power plant outages and price setting rules on electricity market prices.

SuperLig(R) 639 elutable, organic resin has been selected for technetium (as pertechnetate ion) removal from Hanford Site radioactive waste samples as part of the River Protection Project - Waste Treatment Plant (RPP-WTP) design. In support of the RPP-WTP flow sheet development, column tests have been performed at the Savannah River Technology Center with SuperLig(R) 639 resin using actual Hanford Site tank waste samples. The resin was shown to be highly effective at pertechnetate removal from these caustic, high-sodium, aqueous waste samples. Pertechnetate ion was subsequently eluted from the columns with water. An additional column test conducted on a Savannah River Site waste sample revealed exceptional performance, presumably due to the fact that lower concentrations of competing anions (primarily nitrate) were present in the sample.

Theoretical models for heating, evaporation, material flow, and stress and strain generation accompanying CO{sub 2} laser damage mitigation and surface treatment of fused silica are developed to aid understanding of scaling with process parameters. We find that lateral nonlinear heat transport is an important cooling mechanism, more significant than evaporative cooling. Scaling laws relating experiments with different set of parameters are presented. Transverse conduction, together with the increased thermal conductivity at high temperatures, allows a gentle evaporation regime at low laser intensity in which the rate can be controlled via laser fluence. For higher laser intensity, recoil momentum imparted by rapid evaporation generates pressure, which can lead to transverse flow of the melted material. Only a very thin layer can flow because viscosity increases rapidly with depth. Evaporation and flow are subject to instabilities that can impact surface quality, especially surface flatness, if large areas are processed. Also material flow can heal cracks and improve material quality. Analysis of stress indicates that maximal tensile stresses of order 0.1 GPa, comparable to the tensile strength, can be generated.

The end of the Cold War seemed to create a more peaceful international environment. September 11 reminded us of the dangers of complacency. Indeed, even before September 11 US forces had intervened in a number of wars and crises, including Panama, the Persian Gulf War, Somalia, Rwanda, Bosnia, Kosovo, several Taiwan Straits crises, the North Korea nuclear weapons crisis, and most recently Afghanistan. US ability to intervene in remote areas of the world is often dependent on the Navy's ability to project power ashore. As a result, US ability to influence events in crisis situations, especially between or among nuclear powers, may become more difficult along with our ability to conduct littoral warfare. Although the numbers of potentially hostile submarines have declined with the end of the Cold War, US anti-submarine warfare capabilities have also declined. Moreover, foreign submarines and related technologies are likely to diffuse globally. New technologies like Air Independent Propulsion (AIP), improved weapons and sensors will make conventional submarines more dangerous, and the spread of nuclear submarines even to a few more countries raise political, military, environmental, and safety concerns. Submarines are one of the key weapon systems used alone or in combination with other weapon systems …

A portable assembly containing a vertical-bend dipole magnet has been designed and installed immediately down-beam of the Compton electron-laser interaction chamber on beamline 1 of the Accelerator Test Facility (ATF) at Brookhaven National Laboratory (BNL). The water-cooled magnet designed with field strength of up to 0.7 Tesla will be used as a spectrometer in the Thompson scattering and vacuum acceleration experiments, where field-dependent electron scattering, beam focusing and energy spread will be analyzed. This magnet will deflect the ATF's 60 MeV electron-beam 90{sup o} downward, as a vertical beam dump for the Compton scattering experiment. The dipole magnet assembly is portable, and can be relocated to other beamlines at the ATF or other accelerator facilities to be used as a spectrometer or a beam dump. The mechanical and shielding calculations are presented in this paper. The structural rigidity and stability of the assembly were studied. A square lead shield surrounding the assembly's Faraday Cup was designed to attenuate the radiation emerging from the 1 inch-copper beam stop. All photons produced were assumed to be sufficiently energetic to generate photoneutrons. A safety evaluation of groundwater tritium contamination due to the thermal neutron capturing by the deuterium in water was performed, using …