The U. S. Department of Energy (DOE) and the Russian Academy of Sciences (RAS) are engaged in a three-year cooperative study to observe the behavior of actinides in the natural environment at selected disposal sites and/or contamination sites in Russia. The purpose is to develop experimental data and models for actinide speciation, mobilization and transport processes in support of geologic repository design, safety and performance analyses. Currently at the mid-point of the study, the accomplishments to date include: evaluation of existing data and data needs, site screening and selection, initial data acquisition, and development of preliminary conceptual models.

What is data management (DM) and why is it important? As described in the ''Handbook of Data Management'' (Thuraisingham, 1998), data management is the process of understanding the data needs of an organization and making the data available to support the operations of the organization. The ultimate goal of data management is to provide the seamless access and fusion of massive amounts of data, information, and knowledge in a heterogeneous and real-time environment, and to support the functions and decision making processes of an organization. The important questions that need to be asked for proper data management are: who is going to be using the data, what types of data need to be stored, and how will this data be accessed? With these questions answered, the data management system (DMS) can then be created, or an existing system can be modified to meet the needs of the organization. The real importance of a data management system is to provide the end user with a consistent data set of known quality. The elements of a good data management system should include a system that: is modeled to how the data is collected and processed, is very well documented, has specifically defined …

We have developed a microbeam bending technique for determining elastic-plastic, stress-strain relations for thin metal films on silicon substrates. The method is similar to previous microbeam bending techniques, except that triangular silicon microbeams are used in place of rectangular beams. The triangular beam has the advantage that the entire film on the top surface of the beam is subjected to a uniform state of plane strain as the beam is deflected, unlike the standard rectangular geometry where the bending is concentrated at the support. We present a method of analysis for determining two Ramberg-Osgood parameters for describing the stress-strain relation for the film. These parameters are obtained by fitting the elastic-plastic model to the measured load-displacement data, and utilizing the known elastic properties of both film and substrate. As a part of the analysis we compute the position of the neutral plane for bending, which changes as the film deforms plastically. This knowledge, in turn, allows average stress-strain relations to be determined accurately without forcing the film to closely follow the Ramberg-Osgood law. The method we have developed can be used to determine the elastic-plastic properties of thin metal films on silicon substrates up to strains of about 1%. Utilizing …

This paper shows a numerical evaluation of fuels and additives for HCCl combustion. First, a long list of candidate HCCl fuels is selected. For all the fuels in the list, operating conditions (compression ratio, equivalence ratio and intake temperature) are determined that result in optimum performance under typical operation for a heavy-duty engine. Fuels are also characterized by presenting Log(p)-Log(T) maps for multiple fuels under HCCl conditions. Log(p)-Log(T) maps illustrate important processes during HCCl engine operation, including compression, low temperature heat release and ignition. Log(p)-Log(T) diagrams can be used for visualizing these processes and can be used as a tool for detailed analysis of HCCl combustion. The paper also includes a ranking of many potential additives. Experiments and analyses have indicated that small amounts (a few parts per million) of secondary fuels (additives) may considerably affect HCCl combustion and may play a significant role in controlling HCCl combustion. Additives are ranked according to their capability to advance HCCl ignition. The best additives are listed and an explanation of their effect on HCCl combustion is included.

Over the course of the year 2000, five one-day workshops were conducted by the Center for Global Security Research at the Lawrence Livermore National Laboratory on threats that might come against the US and its allies in the 2015 to 2020 timeframe due to the global availability of advanced technology. These workshops focused on threats that are enabled by nuclear, missile, and space technology; military technology; information technology; bio technology; and geo systems technology. In December, an Integration Workshop and Senior Review before national leaders and experts were held. The participants and reviewers were invited from the DOE National Laboratories, the DOD Services, OSD, DTRA, and DARPA, the DOS, NASA, Congressional technical staff, the intelligence community, universities and university study centers, think tanks, consultants on national security issues, and private industry. For each workshop the process of analysis involved identification and prioritization of the participants' perceived most severe threat scenarios (worst nightmares), discussion of the technologies which enabled those threats, and ranking of the technologies' threat potentials. We were not concerned in this exercise with defining responses, although our assessment of each threat's severity included consideration of the ease or difficulty with which it might be countered. At the concluding …

Spatially Resolved X-Ray Diffraction (SRXRD) was used to investigate phase transformations that occur in the heat affected zone (HAZ) of gas tungsten arc (GTA) welds in AISI 1005 carbon-manganese steel. In situ SRXRD experiments performed at the Stanford Synchrotron Radiation Laboratory (SSRL) probed the phases present in the HAZ during welding, and these real-time observations of the HAZ phases were used to construct a map of the phase transformations occurring in the HAZ. This map identified 5 principal phase regions between the liquid weld pool and the unaffected base metal. Regions of annealing, recrystallization, partial transformation and complete transformation to {alpha}-Fe, {gamma}-Fe, and {delta}-Fe phases were identified using SRXRD, and the experimental results were combined with a heat flow model of the weld and thermodynamic calculations to compare these results with the important phase transformation isotherms. From the resulting phase transformation map, the kinetics of phase transformations that occur under the highly non-isothermal heating and cooling cycles produced during welding of steels can be better understood and modeled.

The objective of this work is to develop endoscopic subsurface optical imaging technology that will be able to image different tissue components located underneath the surface of the tissue at an imaging depth of up to 1 centimeter. This effort is based on the utilization of existing technology and components developed for medical endoscopes with the incorporation of the appropriate modifications to implement the spectral and polarization difference imaging technique. This subsurface imaging technique employs polarization and spectral light discrimination in combination with image processing to remove a large portion of the image information from the outer layers of the tissue which leads to enhancement of the contrast and image quality of subsurface tissue structures.

The indoor atmosphere is an ecological unit that impacts on public health. To investigate the composition of organisms in this space, we applied culture-independent approaches to microbes harvested from the air of two densely populated urban buildings, from which we analyzed 80 megabases genomic DNA sequence and 6000 16S rDNA clones. The air microbiota is primarily bacteria, including potential opportunistic pathogens commonly isolated from human-inhabited environments such as hospitals, but none of the data contain matches to virulent pathogens or bioterror agents. Comparison of air samples with each other and nearby environments suggested that the indoor air microbes are not random transients from surrounding outdoor environments, but rather originate from indoor niches. Sequence annotation by gene function revealed specific adaptive capabilities enriched in the air environment, including genes potentially involved in resistance to desiccation and oxidative damage. This baseline index of air microbiota will be valuable for improving designs of surveillance for natural or man-made release of virulent pathogens.

Traditional building simulation programs possess attributes that make them difficult to use for the design and analysis of building energy and control systems and for the support of model-based research and development of systems that may not already be implemented in these programs. This article presents characteristic features of such applications, and it shows how equation-based object-oriented modelling can meet requirements that arise in such applications. Next, the implementation of an open-source component model library for building energy systems is presented. The library has been developed using the equation-based object-oriented Modelica modelling language. Technical challenges of modelling and simulating such systems are discussed. Research needs are presented to make this technology accessible to user groups that have more stringent requirements with respect to the numerical robustness of simulation than a research community may have. Two examples are presented in which models from the here described library were used. The first example describes the design of a controller for a nonlinear model of a heating coil using model reduction and frequency domain analysis. The second example describes the tuning of control parameters for a static pressure reset controller of a variable air volume flow system. The tuning has been done by …

A particle size dependence for CO oxidation over rhodium nanoparticles of 1.9-11.3 nm has been investigated and determined to be modified by the existence of the capping agent poly(vinylpyrrolidone) (PVP). The particles were prepared using a polyol reduction procedure with PVP as the capping agent. The Rh nanoparticles were subsequently supported on SBA-15 during hydrothermal synthesis to produce Rh/SBA-15 supported catalysts for size-dependent catalytic studies. CO oxidation by O{sub 2} at 40 Torr CO and 100 Torr O{sub 2} was investigated over two series of Rh/SBA-15 catalysts: as-synthesized Rh/SBA-15 covering the full range of Rh sizes and the same set of catalysts after high temperature calcination and reduction. The turnover frequency at 443 K increases from 0.4 to 1.7 s{sup -1} as the particle size decreases from 11.3 to 1.9 nm for the as-synthesized catalysts. After calcination and reduction, the turnover frequency is between 0.1 and 0.4 s{sup -1} with no particle size dependence. The apparent activation energy for all catalysts is {approx}30 kcal mol{sup -1} and is independent of particle size and thermal treatment. Infrared spectroscopy of CO on the Rh nanoparticles indicates that the heat treatments used influence the mode of CO adsorption. As a result, the particle …

Gas hydrates are a vast energy resource with global distribution in the permafrost and in the oceans. Even if conservative estimates are considered and only a small fraction is recoverable, the sheer size of the resource is so large that it demands evaluation as a potential energy source. In this review paper, we discuss the distribution of natural gas hydrate accumulations, the status of the primary international R&D programs, and the remaining science and technological challenges facing commercialization of production. After a brief examination of gas hydrate accumulations that are well characterized and appear to be models for future development and gas production, we analyze the role of numerical simulation in the assessment of the hydrate production potential, identify the data needs for reliable predictions, evaluate the status of knowledge with regard to these needs, discuss knowledge gaps and their impact, and reach the conclusion that the numerical simulation capabilities are quite advanced and that the related gaps are either not significant or are being addressed. We review the current body of literature relevant to potential productivity from different types of gas hydrate deposits, and determine that there are consistent indications of a large production potential at high rates over …

As part of a study to characterize the detailed coordination behavior of Pu(IV), single crystal X-ray diffraction structures have been determined for Pu(IV) and Ce(IV) complexes with the naturally-occurring ligand maltol (3-hydroxy-2-methyl-pyran-4-one) and its derivative bromomaltol (5-bromo-3-hydroxy-2-methyl-pyran-4-one). Although Ce(IV) is generally accepted as a structural analog for Pu(IV), and the maltol complexes of these two metals are isostructural, the corresponding bromomaltol complexes are strikingly different with respect to ligand orientation about the metal ion: All complexes exhibit trigonal dodecahedral coordination geometry but the Ce(IV)-bromomaltol complex displays an uncommon ligand arrangement not mirrored in the Pu(IV) complex, although the two metal species are generally accepted to be structural analogs.

The authors present updated measurements of time-dependent Cp asymmetries in fully reconstructed neutral B decays containing a charmonium meson. The measurements reported here use a data sample of (465 {+-} 5) x 10{sup 6} {Upsilon}(4S) {yields} B{bar B} decays collected with the BABAR detector at the PEP-II asymmetric energy e{sup +}e{sup -} storage rings operating at the SLAC National Accelerator Laboratory. The time-dependent CP asymmetry parameters measured from J/{psi} K{sub S}{sup 0}, J/{psi}K{sub L}{sup 0}, {psi}(2S)K{sub S}{sup 0}, {eta}{sub c}K{sub S}{sup 0}, {chi}{sub c1}K{sub S}{sup 0} and J/{psi} K*(892){sup 0} decays are: C{sub f} = 0.024 {+-} 0.020(stat) {+-} 0.016(syst) and -{eta}{sub f}S{sub f} = 0.687 {+-} 0.028(stat) {+-} 0.012(syst).

It is apparent to anyone who thinks about it that, to a large degree, the basic concepts of Newtonian physics are quite intuitive, but quantum mechanics is not. My purpose in this talk is to introduce you to a new, much more intuitive way to understand how quantum mechanics works. I begin with an incredibly easy way to derive the time evolution of a Gaussian wave-packet for the case free and harmonic motion without any need to know the eigenstates of the Hamiltonian. This discussion is completely analytic and I will later use it to relate the solution for the behavior of the Gaussian packet to the Feynman path-integral and stationary phase approximation. It will be clear that using the information about the evolution of the Gaussian in this way goes far beyond what the stationary phase approximation tells us. Next, I introduce the concept of the bucket brigade approach to dealing with problems that cannot be handled totally analytically. This approach combines the intuition obtained in the initial discussion, as well as the intuition obtained from the path-integral, with simple numerical tools. My goal is to show that, for any specific process, there is a simple Hilbert space interpretation …

The cosmic microwave background power spectra are studied for different families of single field new and chaotic inflation models in the effective field theory approach to inflation. We implement a systematic expansion in 1/N(e), where N(e)~;;50 is the number of e-folds before the end of inflation. We study the dependence of the observables (n(s), r and dn(s)/dlnk) on the degree of the potential (2n) and confront them to the WMAP3 and large scale structure data: This shows in general that fourth degree potentials (n=2) provide the best fit to the data; the window of consistency with the WMAP3 and LSS data narrows for growing n. New inflation yields a good fit to the r and n(s) data in a wide range of field and parameter space. Small field inflation yields r<0.16 while large field inflation yields r>0.16 (for N(e)=50). All members of the new inflation family predict a small but negative running -4(n+1) x 10-4<=dn(s)/dlnk<=-2 x 10-4. (The values of r, n(s), dn(s)/dlnk for arbitrary N(e) follow by a simple rescaling from the N(e)=50 values.) A reconstruction program is carried out suggesting quite generally that for n(s) consistent with the WMAP3 and LSS data and r<0.1 the symmetry breaking scale …

We discuss images of the central {approx} 10 kpc (in projection) of the galaxy merger NGC 6240 at H and K{prime} bands, taken with the NIRC2 narrow camera on Keck II using natural guide star adaptive optics. We detect 28 star clusters in the NIRC2 images, of which only 7 can be seen in the similar-spatial-resolution, archival WFPC2 Planetary Camera data at either B or I bands. Combining the NIRC2 narrow camera pointings with wider NICMOS NIC2 images taken with the F110W, F160W, and F222M filters, we identify a total of 32 clusters that are detected in at least one of these 5 infrared ({lambda}{sub c} > 1 {micro}m) bandpasses. By comparing to instantaneous burst, stellar population synthesis models (Bruzual & Charlot 2003), we estimate that most of the clusters are consistent with being {approx} 15 Myr old and have photometric masses ranging from 7 x 10{sup 5} M{sub {circle_dot}} to 4 x 10{sup 7}M{sub {circle_dot}}. The total contribution to the star formation rate (SFR) from these clusters is approximately 10M{sub {circle_dot}} yr{sup -1}, or {approx} 10% of the total SFR in the nuclear region. We use these newly discovered clusters to estimate the extinction toward NGC 6240's double nuclei, …

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Various model equations are available for representing the excess Gibbs energy properties (osmotic and activity coefficients) of aqueous and other liquid mixed-electrolyte solutions. Scatchard's neutral-electrolyte model is among the simplest of these equations for ternary systems and contains terms that represent both symmetrical and asymmetric deviations from ideal mixing behavior when two single-electrolyte solutions are mixed in different proportions at constant ionic strengths. The usual form of this model allows from zero to six mixing parameters. In this report we present an analytical method for transforming the mixing parameters of neutral-electrolyte-type models with larger numbers of mixing parameters directly to those of models with fewer mixing parameters, without recourse to the source data used for evaluation of the original model parameters. The equations for this parameter conversion are based on an extension to ternary systems of the methodology of Rard and Wijesinghe [J. Chem. Thermodyn. 35, 439-473 (2003)] and Wijesinghe and Rard [J. Chem. Thermodyn. 37, 1196-1218 (2005)] that was applied by them to binary systems. It was found that the use of this approach with a constant ionic-strength cutoff of I {le} 6.2 mol {center_dot} kg{sup -1} (the NaCl solubility limit) yielded parameters for the NaCl + SrCl{sub 2} …

We present new measurements of time-dependent CP asymmetries for B{sup 0} {yields} D{sup (*)+}d{sup (*)-} decays using (467 {+-} 5) x 10{sup 6} B{bar B} pairs collected with the BABAR detector located at the PEP-II B Factory at the Stanford Linear Accelerator Center. We determine the CP-odd fraction of the B{sup 0} {yields} D*{sup +}D*{sup -} decays to be R{perpendicular} = 0.158 {+-} 0.028 {+-} 0.006 and find CP asymmetry parameters for the CP-even component of the decay S{sub +} = -0.76 {+-} 0.16 {+-} 0.04 and C{sub +} = 0.00 {+-} 0.12 {+-} 0.02. We measure S = -0.63{+-}0.36{+-}0.05 and C = -0.07{+-}0.23{+-}0.03 for B{sup 0} {yields} D{sup +}D{sup -}, S = -0.62{+-}0.21{+-}0.03 and C = 0.08 {+-} 0.17 {+-} 0.04 for B{sup 0} {yields} D*{sup +}D{sup -}, and S = -0.73 {+-} 0.23 {+-} 0.05 and C = 0.00 {+-} 0.17 {+-} 0.03 for B{sup 0} {yields} D{sup +}D*{sup -}. For the B{sup 0} {yields} D*{sup {+-}}D{sup {-+}} decays, we also determine the CP-violating asymmetry A = 0.008 {+-} 0.048 {+-} 0.013. In each case, the first uncertainty is statistical and the second is systematic. The measured values for the asymmetries are all consistent with the Standard Model.

The four diffusion coefficients D{sub ij} of the ternary system NaCl-MgCl{sub 2}-H{sub 2}O at the simplified seawater composition 0.48877 mol {center_dot} dm{sup -3} NaCl and 0.05110 mol {center_dot} dm{sup -3} MgCl{sub 2} have been remeasured at 25 C. The diffusion coefficients were obtained using both Gouy and Rayleigh interferometry with the highly precise Gosting diffusiometer. The results, which should be identical in principle, are essentially the same within or very close to their combined 'realistic' errors. This system has a cross-term D{sub 12} that is larger than the D{sub 22} main-term, where subscript 1 denotes NaCl and 2 denotes MgCl{sub 2}. The results are compared with earlier, less-precise measurements. Recommended values for this system are (D{sub 11}){sub V} = 1.432 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, (D{sub 12}){sub V} = 0.750 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, (D{sub 21}){sub V} = 0.0185 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}, and (D{sub 22}){sub V} = 0.728 x 10{sup -9} m{sup 2} {center_dot} sec{sup -1}.

A procedure for carrying out iterative model-building, density modification and refinement is presented in which the density in an OMIT region is essentially unbiased by an atomic model. Density from a set of overlapping OMIT regions can be combined to create a composite 'Iterative-Build' OMIT map that is everywhere unbiased by an atomic model but also everywhere benefiting from the model-based information present elsewhere in the unit cell. The procedure may have applications in the validation of specific features in atomic models as well as in overall model validation. The procedure is demonstrated with a molecular replacement structure and with an experimentally-phased structure, and a variation on the method is demonstrated by removing model bias from a structure from the Protein Data Bank.

The Geant4 hadronic models cover the entire range of energies required by calorimeters in new and planned experiments. The extension and improvement of the elastic, cascade, parameterized and quark-gluon string models will be discussed. Such improvements include the extension to more particle types, a review and correction of cross sections, and a better treatment of energy and momentum conservation. Concurrent with this development has been a validation program which includes comparisons with double differential cross sections. An ongoing hadronic shower validation will also be discussed which includes the examination of longitudinal shower shapes and the performance of the above models as well as their interaction with electromagnetic processes such as multiple scattering.

TeV-scale extra dimensions may play an important role in electroweak or supersymmetry breaking. We examine the phenomenology of such dimensions, compactified on a sphere S{sup n}, n {ge} 2, and show that they possess distinct features and signatures. For example, unlike flat toroidal manifolds, spheres do not trivially allow fermion massless modes. Acceptable phenomenology then generically leads to ''non-universal'' extra dimensions with ''pole-localized'' 4-d fermions; the bosonic fields can be in the bulk. Due to spherical symmetry, some Kaluza-Klein (KK) modes of bulk gauge fields are either stable or extremely long-lived, depending on the graviton KK spectrum. Using precision electroweak data, we constrain the lightest gauge field KK modes to lie above {approx_equal} 4 TeV. We show that some of these KK resonances are within the reach of the LHC in several different production channels. The models we study can be uniquely identified by their collider signatures.

Advanced laser systems will be essential for a range of diagnostics devices and polarimetry at the ILC. High average power, high beam quality, excellent stability and reliability will be crucial in order to deliver the information required to attain the necessary ILC luminosity as well as for efficient polarimetry. The key parameters are listed together with the R & D required to achieve the necessary laser system performance.