Li(Ni{sub 0.4}Co{sub 0.15}Al{sub 0.05}Mn{sub 0.4})O{sub 2} was investigated to understand the effect of replacement of the cobalt by aluminum on the structural and electrochemical properties. In situ X-ray absorption spectroscopy (XAS) was performed, utilizing a novel in situ electrochemical cell, specifically designed for long-term X-ray experiments. The cell was cycled at a moderate rate through a typical Li-ion battery operating voltage range. (1.0-4.7 V) XAS measurements were performed at different states of charge (SOC) during cycling, at the Ni, Co, and the Mn edges, revealing details about the response of the cathode to Li insertion and extraction processes. The extended X-ray absorption fine structure (EXAFS) region of the spectra revealed the changes of bond distance and coordination number of Ni, Co, and Mn absorbers as a function of the SOC of the material. The oxidation states of the transition metals in the system are Ni{sup 2+}, Co{sup 3+}, and Mn{sup 4+} in the as-made material (fully discharged), while during charging the Ni{sup 2+} is oxidized to Ni{sup 4+} through an intermediate stage of Ni{sup 3+}, Co{sup 3+} is oxidized toward Co{sup 4+}, and Mn was found to be electrochemically inactive and remained as Mn{sup 4+}. The EXAFS results during cycling …

In a recent report Navratil et al. evaluated the angle-integrated cross section and the angular distribution for 14-MeV n+T elastic scattering by inferring these cross sections from accurately measured p+3He angular distributions. This evaluation used a combination of two theoretical treatments, based on the no-core shell model and resonating-group method (NCSM/RGM) and on the R-matrix formalism, to connect the two charge-symmetric reactions n+T and p+{sup 3}He. In this report we extend this treatment to cover the neutron incident energy range 6-14 MeV. To do this, we evaluate angle-dependent correction factors for the NCSM/RGM calculations so that they agree with the p+{sup 3}He data near 6 MeV, and using the results found earlier near 14 MeV we interpolate these correction factors to obtain correction factors throughout the 6-14 MeV energy range. The agreement between the corrected NCSM/RGM and R-Matrix values for the integral elastic cross sections is excellent ({+-}1%), and these are in very good agreement with total cross section experiments. This result can be attributed to the nearly constant correction factors at forward angles, and to the evidently satisfactory physics content of the two calculations. The difference in angular shape, obtained by comparing values of the scattering probability distribution P({mu}) …

The focus of this project was an overall process improvement through the enhancement of the co-product streams. The enhancement of the process operations and co-products will increase both ethanol production and the value of other process outputs and reduces the amount of waste byproducts. This leads to a more economical and environmentally sound alternative to landfill disposal of municipal solid waste (MSW). These enhancements can greatly increase the commercial potential for the production of ethanol from MSW by the Masada CES OxyNol process. Both technological and economical issues were considered for steps throughout the conversion process. The research efforts of this project are varied but synergistic. The project investigated many of the operations involved in the Masada process with the overall goal of process improvements. The general goal of the testing was to improve co-product quality, improve conversions efficiencies, minimize process losses, increase energy efficiency, and mitigate process and commercialization risks. The project was divided into 16 subtasks as described in general terms below. All these tasks are interrelated but not necessarily interdependent.

The frequency footprint of ID and 2D profiling instruments needs to be carefully considered in comparing ID surface roughness spectrum measurements made by different instruments. Contributions from orthogonal direction frequency components can not be neglected. The use of optical profiling instruments is ubiquitous in the measurement of the roughness of optical surfaces. Their ease-of-use and non-contact measurement method found widespread use in the optics industry for measuring the quality of delicate optical surfaces. Computerized digital data acquisition with these instruments allowed for quick and easy calculation of surface roughness statistics, such as root-mean-square (RMS) roughness. The computing power of the desktop computer allowed for the rapid conversion of spatial domain data into the frequency domain, enabling the application of sophisticated signal processing techniques to be applied to the analysis of surface roughness, the most powerful of which is the power spectral density (PSP) function. Application of the PSD function to surface statistics introduced the concept of 'bandwidth-limited' roughness, where the value of the RMS roughness depends critically upon the spatial frequency response of the instrument. Different instruments with different spatial frequency response characteristics give different answers when measuring the same surface.

The W boson mass working group discussed the current status of the W boson mass measurement and the prospects for improving on LEP and Tevatron measurements at the LHC.

Benzene, a ubiquitous human carcinogen, forms DNA adducts through its metabolites such as p-benzoquinone (p-BQ) and hydroquinone (HQ). N(2)-(4-Hydroxyphenyl)-2'-deoxyguanosine (N(2)-4-HOPh-dG) is the principal adduct identified in vivo by (32)P-postlabeling in cells or animals treated with p-BQ or HQ. To study its effect on repair specificity and replication fidelity, we recently synthesized defined oligonucleotides containing a site-specific adduct using phosphoramidite chemistry. We here report the repair of this adduct by Escherichia coli UvrABC complex, which performs the initial damage recognition and incision steps in the nucleotide excision repair (NER) pathway. We first showed that the p-BQ-treated plasmid was efficiently cleaved by the complex, indicating the formation of DNA lesions that are substrates for NER. Using a 40-mer substrate, we found that UvrABC incises the DNA strand containing N(2)-4-HOPh-dG in a dose- and time-dependent manner. The specificity of such repair was also compared with that of DNA glycosylases and damage-specific endonucleases of E. coli, both of which were found to have no detectable activity toward N(2)-4-HOPh-dG. To understand why this adduct is specifically recognized and processed by UvrABC, molecular modeling studies were performed. Analysis of molecular dynamics trajectories showed that stable G:C-like hydrogen bonding patterns of all three Watson-Crick hydrogen bonds are …

This work studies the performance and scalability characteristics of"hybrid" parallel programming and execution as applied to raycasting volume rendering -- a staple visualization algorithm -- on a large, multi-core platform. Historically, the Message Passing Interface (MPI) has become the de-facto standard for parallel programming and execution on modern parallel systems. As the computing industry trends towards multi-core processors, with four- and six-core chips common today and 128-core chips coming soon, we wish to better understand how algorithmic and parallel programming choices impact performance and scalability on large, distributed-memory multi-core systems. Our findings indicate that the hybrid-parallel implementation, at levels of concurrency ranging from 1,728 to 216,000, performs better, uses a smaller absolute memory footprint, and consumes less communication bandwidth than the traditional, MPI-only implementation.

Minimally-doubled chiral fermions have the unusual property of a single local field creating two fermionic species. Spreading the field over hypercubes allows construction of combinations that isolate specific modes. Combining these fields into bilinears produces meson fields of specific quantum numbers. Minimally-doubled fermion actions present the possibility of fast simulations while maintaining one exact chiral symmetry. They do, however, introduce some peculiar aspects. An explicit breaking of hyper-cubic symmetry allows additional counter-terms to appear in the renormalization. While a single field creates two different species, spreading this field over nearby sites allows isolation of specific states and the construction of physical meson operators. Finally, lattice artifacts break isospin and give two of the three pseudoscalar mesons an additional contribution to their mass. Depending on the sign of this mass splitting, one can either have a traditional Goldstone pseudoscalar meson or a parity breaking Aoki-like phase.

Plug-in hybrid electric vehicles (PHEVs) are being developed for mass production by the automotive industry. PHEVs have been touted for their potential to reduce the US transportation sector's dependence on petroleum and cut greenhouse gas (GHG) emissions by (1) using off-peak excess electric generation capacity and (2) increasing vehicles energy efficiency. A well-to-wheels (WTW) analysis - which examines energy use and emissions from primary energy source through vehicle operation - can help researchers better understand the impact of the upstream mix of electricity generation technologies for PHEV recharging, as well as the powertrain technology and fuel sources for PHEVs. For the WTW analysis, Argonne National Laboratory researchers used the Greenhouse gases, Regulated Emissions, and Energy use in Transportation (GREET) model developed by Argonne to compare the WTW energy use and GHG emissions associated with various transportation technologies to those associated with PHEVs. Argonne researchers estimated the fuel economy and electricity use of PHEVs and alternative fuel/vehicle systems by using the Powertrain System Analysis Toolkit (PSAT) model. They examined two PHEV designs: the power-split configuration and the series configuration. The first is a parallel hybrid configuration in which the engine and the electric motor are connected to a single mechanical transmission …