The 2013 Gordon Conference on Inorganic Reaction Mechanisms will present cutting-edge research on the molecular aspects of inorganic reactions involving elements from throughout the periodic table and state-of-the art techniques that are used in the elucidation of reaction mechanisms. The Conference will feature a wide range of topics, such as homogeneous and heterogeneous catalysis, metallobiochemistry, electron-transfer in energy reactions, polymerization, nitrogen fixation, green chemistry, oxidation, solar conversion, alkane functionalization, organotransition metal chemistry, and computational chemistry. The talks will cover themes of current interest including energy, materials, and bioinorganic chemistry. Sections cover: Electron-Transfer in Energy Reactions; Catalytic Polymerization and Oxidation Chemistry; Kinetics and Spectroscopy of Heterogeneous Catalysts; Metal-Organic Chemistry and its Application in Synthesis; Green Energy Conversion;Organometallic Chemistry and Activation of Small Molecules; Advances in Kinetics Modeling and Green Chemistry; Metals in Biology and Disease; Frontiers in Catalytic Bond Activation and Cleavage.

The workshop aimed to identify outstanding climate change science questions and the observational strategies for addressing them. The scientific focus was clouds, aerosols, and precipitation, and the required ground- and aerial-based observations. The workshop findings will be useful input for setting priorities within the Department of Energy (DOE) and the participating European centers. This joint workshop was envisioned as the first step in enhancing the collaboration among these climate research activities needed to better serve the science community.

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Gas-Puff-Imaging (GPI) is a two dimensional diagnostic which measures the edge Dα light emission from a neutral D2 gas puff nears the outer mid-plane of NSTX. DEGAS 2 is a 3-D Monte Carlo code used to model neutral transport and atomic physics in tokamak plasmas. In this paper we compare measurements of the Dα light emission obtained by GPI on NSTX with DEGAS 2 simulations of Dα light emission for specific experiments. Both the simulated spatial distribution and absolute intensity of the Dα light emission agree well with the experimental data obtained between ELMs in H-mode. __________________________________________________

The goal of this project is to provide an innovative, new crab cavity design relevant to the MEIC. Through this work, we will provide comprehensive modeling of this new cavity design, including electromagnetic, thermal, and microphonic effects. One most likely candidate configuration is the design put forward by JLab and Lancaster University, UK, researchers known as the four-rod configuration. In the Phase I, Tech-X Corporation researchers performed analysis and design optimization and iteration, utilizing their state-of-the art time-domain particle-in-cell software, on a 400 MHz design for the LHC by JLab and Lancaster University, UK, researchers known as the four-rod design.

Tritium releases from the Old Radioactive Waste Burial Ground (ORWBG) at the SRS in South Carolina has impacted groundwater and surface water. Tritiated groundwater plumes discharge into Fourmile Branch which is a small tributary of the Savannah River, a regional water resource. Taking advantage of the groundwater flow paths and the local topography a water collection and irrigation system was constructed and has been used at the SRS for over a decade to reduce these tritiated water releases to Fourmile Branch. The tritiated water is transferred to the atmosphere by evaporation from the pond surface, and after irrigation, wetted surface evaporation and evapotranspiration through the forest vegetation. Over the last decade SRS has irrigated over 120,000,000 gallons of tritiated water, which diverted over 6000 curies away from Fourmile Branch and the Savannah River. The system has been effective in reducing the flux of tritiated groundwater by approximately 70%. Mass balance studies of tritium in the forest soils before operations and over the last decade indicate that approximately 90% of the tritiated water that is irrigated is transferred to the atmosphere. Dose studies indicate that exposure to site workers and offsite maximally exposed individual is very low, approximately 6 mrem/year and …

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A series of cyclic potentiodynamic polarization tests was performed on samples of ASTM A537 carbon steel in support of a probability-based approach to evaluate the effect of chloride and sulfate on corrosion the steel�s susceptibility to pitting corrosion. Testing solutions were chosen to systemically evaluate the influence of the secondary aggressive species, chloride, and sulfate, in the nitrate based, high-level wastes. The results suggest that evaluating the combined effect of all aggressive species, nitrate, chloride, and sulfate, provides a consistent response for determining corrosion susceptibility. The results of this work emphasize the importance for not only nitrate concentration limits, but also chloride and sulfate concentration limits.

Monosodium titanate (MST) for use in the Actinide Removal Process (ARP) must be qualified and verified in advance. A single qualification sample for each batch of material is sent to SRNL for analysis, as well as a statistical sampling of verification samples. The Harrell Industries Lot #s 46000706120, 46000722120, and 460008081120 qualification and verification samples met each of the selected specification requirements that were tested with the exception of a few pails being marginally below the lower weight percent solids limit. These deviations from the specifications are viewed as negligible since the corresponding density of the slurries indicates no appreciable shortage of MST solids. Therefore, SRNL recommends acceptance and use of these pails.

The cloud condensation nuclei (CCN) concentration at cloud base is the most relevant measure of the aerosol that influences droplet formation in clouds. Since the CCN concentration depends on supersaturation, a more general measure of the CCN concentration is the CCN spectrum (values at multiple supersaturations). The CCN spectrum is now measured at the surface at several fixed ARM sites and by the ARM Mobile Facility (AMF), but is not measured at the cloud base. Rather than rely on expensive aircraft measurements for all studies of aerosol effects on clouds, a way to project CCN measurements at the surface to cloud base is needed. Remote sensing of aerosol extinction provides information about the vertical profile of the aerosol, but cannot be directly related to the CCN concentration because the aerosol extinction is strongly influenced by humidification, particularly near cloud base. Ghan and Collins (2004) and Ghan et al. (2006) propose a method to remove the influence of humidification from the extinction profiles and tie the “dry extinction” retrieval to the surface CCN concentration, thus estimating the CCN profile. This methodology has been implemented as the CCN Profile (CCNPROF) value-added product (VAP).

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This slide-show discusses the use of the Local Polynomial Approximation (LPA) to smooth signals from photonic Doppler velocimetry (PDV) applying a generalized Peano kernel theorem.

This slide-show discusses the Nevada National Security Site (NNSS) and tritium in the groundwater. It describes the wells and boreholes and potential airflow from these sources. Monitoring of selected wells is discussed and preliminary results are presented.

After completion of waste removal and chemical cleaning operations, Tanks 5-F and 6-F await final closure. The project will proceed with completing operational closure by stabilizing the tanks with grout. Savannah River Remediation's (SRR) experience with grouting Tanks 18-F and 19-F showed that slump-flow values were correlated with flow/spread inside these tanks. Less mounding was observed when using grouts with higher slump-flow. Therefore, SRNL was requested to evaluate the relationship between flowability and cured properties to determine whether the slump-flow maximum spread of Mix LP#8-16 could be increased from 28 inches to 30 inches without impacting the grout quality. A request was also made to evaluate increasing the drop height from 5 feet to 10 feet with the objective of enhancing the flow inside the tank by imparting more kinetic energy to the placement. Based on a review of the grout property data for Mix LP#8-16 collected from Tank 18-F and 19-F quality control samples, the upper limit for slump-flow measured per ASTM C 1611 can be increased from 28 to 30 inches without affecting grout quality. However, testing should be performed prior to increasing the drop height from 5 to 10 feet or observations should be made during initial …

The objective of this program was to examine, via experiment and atomistic and continuum analysis, coordinated noncovalent bonding over a range of length scales with a view to obtaining modulated, patterned and reversible bonding at the molecular level. The first step in this project was to develop processes for depositing self-assembled monolayers (SAMs) bearing carboxylic acid and amine moieties on Si (111) surfaces and probe tips of an interfacial force microscope (IFM). This allowed the adhesive portion of the interactions between functionalized surfaces to be fully captured in the force-displacement response (force profiles) that are measured by the IFM. The interactionswere extracted in the form of traction-separation laws using combined molecular and continuum stress analyses. In this approach, the results of molecular dynamics analyses of SAMs subjected to simple stress states are used to inform continuum models of their stress-strain behavior. Continuum analyses of the IFM experiment were then conducted, which incorporate the stress-strain behavior of the SAMs and traction-separation relations that represent the interactions between the tip and functionalized Si surface. Agreement between predicted and measured force profiles was taken to imply that the traction-separation relations have been properly extracted. Scale up to larger contact areas was considered by …

This report presents the results of environmental activities and monitoring programs at the Princeton Plasma Physics Laboratory (PPPL) for Calendar Years 2009-2010. The report provides the U.S. Department of Energy (DOE) and the public with information on the level of radioactive and non-radioactive pollutants, if any, that are released into the environment as a result of PPPL operations. The report also summarizes environmental initiatives, assessments, and programs that were undertaken in 2009-2010. The objective of the Site Environmental Report is to document PPPL's efforts to protect the public's health and the environment through its environmental protection, safety, and health programs. __________________________________________________

Targeted radionuclide therapy is emerging as a viable approach for cancer treatment because of its potential for delivering curative doses of radiation to malignant cell populations while sparing normal tissues. Alpha particles such as those emitted by 211At are particularly attractive for this purpose because of their short path length in tissue and high energy, making them highly effective in killing cancer cells. The current impact of targeted radiotherapy in the clinical domain remains limited despite the fact that in many cases, potentially useful molecular targets and labeled compounds have already been identified. Unfortunately, putting these concepts into practice has been impeded by limitations in radiochemistry methodologies. A critical problem is that the synthesis of therapeutic radiopharmaceuticals provides additional challenges in comparison to diagnostic reagents because of the need to perform radio-synthesis at high levels of radioactivity. This is particularly important for {alpha}-particle emitters such as 211At because they deposit large amounts of energy in a highly focal manner. The overall objective of this project is to develop convenient and reproducible radiochemical methodologies for the radiohalogenation of molecules with the {alpha}-particle emitter 211At at the radioactivity levels needed for clinical studies. Our goal is to address two problems in astatine …

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