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Computer Science Research Institute 2003 annual report of activities

Collis, Samuel S.

This report summarizes the activities of the Computer Science Research Institute (CSRI) at Sandia National Laboratories during the period January 1, 2003 to December 31, 2003. During this period the CSRI hosted 164 visitors representing 78 universities, companies and laboratories. Of these 78 were summer students or faculty members. The CSRI partially sponsored 5 workshops and also organized and was the primary host for 3 workshops. These 3 CSRI sponsored workshops had 178 participants--137 from universities, companies and laboratories, and 41 from Sandia. Finally, the CSRI sponsored 18 long-term collaborative research projects and 5 Sabbaticals.

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Computer Science Research Institute 2004 annual report of activities

Collis, Samuel S.

This report summarizes the activities of the Computer Science Research Institute (CSRI) at Sandia National Laboratories during the period January 1, 2004 to December 31, 2004. During this period the CSRI hosted 166 visitors representing 81 universities, companies and laboratories. Of these 65 were summer students or faculty. The CSRI partially sponsored 2 workshops and also organized and was the primary host for 4 workshops. These 4 CSRI sponsored workshops had 140 participants--74 from universities, companies and laboratories, and 66 from Sandia. Finally, the CSRI sponsored 14 long-term collaborative research projects and 5 Sabbaticals.

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Workshop on development of radionuclide getters for the Yucca Mountain waste repository: proceedings

Moore, Robert C.; Swift, Peter; Brady, Patrick V.

The proposed Yucca Mountain repository, located in southern Nevada, is to be the first facility for permanent disposal of spent reactor fuel and high-level radioactive waste in the United States. Total Systems Performance Assessment (TSPA) analysis has indicated that among the major radionuclides contributing to dose are technetium, iodine, and neptunium, all of which are highly mobile in the environment. Containment of these radionuclides within the repository is a priority for the Yucca Mountain Project (YMP). These proceedings review current research and technology efforts for sequestration of the radionuclides with a focus on technetium, iodine, and neptunium. This workshop also covered issues concerning the Yucca Mountain environment and getter characteristics required for potential placement into the repository.

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Ion-induced gammas for photofission interrogation of HEU

Doyle, B.L.; Morse, Daniel H.; Provencio, P.N.

High-energy photons and neutrons can be used to actively interrogate for heavily shielded special nuclear material (SNM), such as HEU (highly enriched uranium), by detecting prompt and/or delayed induced fission signatures. In this work, we explore the underlying physics for a new type of photon source that generates high fluxes of mono-energetic gamma-rays from low-energy (<500 keV) proton-induced nuclear reactions. The characteristic energies (4- to 18-MeV) of the gamma-rays coincide with the peak of the photonuclear cross section. The source could be designed to produce gamma-rays of certain selected energies, thereby improving the probability of detecting shielded HEU or providing a capability to determine enrichment inside sealed containers. The fundamental physics of such an interrogation source were studied in this LDRD through scaled ion accelerator experiments and radiation transport modeling. The data were used to assess gamma and neutron yields, background, and photofission-induced signal levels from several (p,{gamma}) target materials under consideration.

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Wind turbine reliability :understanding and minimizing wind turbine operation and maintenance costs

Walford, Christopher A.

Wind turbine system reliability is a critical factor in the success of a wind energy project. Poor reliability directly affects both the project's revenue stream through increased operation and maintenance (O&M) costs and reduced availability to generate power due to turbine downtime. Indirectly, the acceptance of wind-generated power by the financial and developer communities as a viable enterprise is influenced by the risk associated with the capital equipment reliability; increased risk, or at least the perception of increased risk, is generally accompanied by increased financing fees or interest rates. This paper outlines the issues relevant to wind turbine reliability for wind turbine power generation projects. The first sections describe the current state of the industry, identify the cost elements associated with wind farm O&M and availability and discuss the causes of uncertainty in estimating wind turbine component reliability. The latter sections discuss the means for reducing O&M costs and propose O&M related research and development efforts that could be pursued by the wind energy research community to reduce cost of energy.

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Impact of distributed energy resources on the reliability of a critical telecommunications facility

Robinson, David G.; Atcitty, Stanley; Zuffranieri, Jason V.

This report documents a probabilistic risk assessment of an existing power supply system at a large telecommunications office. The focus is on characterizing the increase in the reliability of power supply through the use of two alternative power configurations. Telecommunications has been identified by the Department of Homeland Security as a critical infrastructure to the United States. Failures in the power systems supporting major telecommunications service nodes are a main contributor to major telecommunications outages. A logical approach to improve the robustness of telecommunication facilities would be to increase the depth and breadth of technologies available to restore power in the face of power outages. Distributed energy resources such as fuel cells and gas turbines could provide one more onsite electric power source to provide backup power, if batteries and diesel generators fail. The analysis is based on a hierarchical Bayesian approach and focuses on the failure probability associated with each of three possible facility configurations, along with assessment of the uncertainty or confidence level in the probability of failure. A risk-based characterization of final best configuration is presented.

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Passive wireless sensing tags NASA inflatable structures

Brocato, Robert W.

This report gives a description of several types of wireless, unpowered remote sensors. Surface acoustic wave (SAW) devices were coupled with conventional sensors to create entirely new types of sensors. These sensors report physically measurable data in the same manner as the conventional sensors, but they do it remotely and without any local power source. The sensors are measured remotely using a radar-like interrogation device, and the sensors and their related communication electronics draw all of the power needed for communicating from the radar pulse. The report covers only a description of prototype sensors and not of the manufacturing requirements of these devices.

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Pilot test specific test plan for the removal of arsenic Socorro, New Mexico

Siegel, Malcolm; Marbury, Justin L.; Everett, Randy; Dwyer, Brian P.; Collins, Sue S.; Cappelle, Malynda A.; Aragon, Alicia R.

Sandia National Laboratories (SNL) is conducting pilot scale evaluations of the performance and cost of innovative drinking water treatment technologies designed to meet the new arsenic maximum contaminant level (MCL) of 10 {micro}g/L (effective January 2006). As currently envisioned, pilots tests may include multiple phases. Phase I tests will involve side-by-side comparisons of several commercial technologies primarily using design parameters suggested by the Vendors. Subsequent tests (Phase II) may involve repeating some of the original tests, testing the same commercial technologies under different conditions and testing experimental technologies or additional commercial technologies. This Pilot Test Specific Test Plan (PTSTP) was written for Phase I of the Socorro Springs Pilot. The objectives of Phase I include evaluation of the treatment performance of five adsorptive media under ambient pH conditions (approximately 8.0) and assessment of the effect of contact time on the performance of one of the media. Addenda to the PTSTP may be written to cover Phase II studies and supporting laboratory studies. The Phase I demonstration began in the winter of 2004 and will last approximately 9 months. The information from the test will help the City of Socorro choose the best arsenic treatment technology for the Socorro Springs well. The pilot demonstration is a project of the Arsenic Water Technology Partnership program, a partnership between the American Water Works Association (AWWA) Research Foundation, SNL, and WERC (A Consortium for Environmental Education and Technology Development).

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Chemical analyses of soil samples collected from the Sandia National Laboratories, New Mexico environs, 1993-2005

Miller, Mark L.; Deola, Regina A.; Herrera, Heidi M.; Oldewage, Hans D.

From 1993 through 2005, the Environmental Management Department of Sandia National Laboratories in Albuquerque, New Mexico (SNL/NM), has collected soil and sediment samples at numerous locations on-site, on the perimeter, and off-site for the purpose of determining potential impacts to the environs from operations at the Laboratories. These samples were submitted to an analytical laboratory for metal-in-soil analyses. Intercomparisons of these results were then made to determine if there was any statistical difference between on-site, perimeter, and off-site samples, or if there were year-to-year increasing or decreasing trends which indicated that further investigation may be warranted. This work provided the SNL Environmental Management Department with a sound baseline data reference against which to assess potential current operational impacts or to compare future operational impacts. In addition, it demonstrates the commitment that the Laboratories have to go beyond mere compliance to achieve excellence in its operations. This data is presented in graphical format with narrative commentaries on particular items of interest.

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Extended defense systems :I. adversary-defender modeling grammar for vulnerability analysis and threat assessment

Merkle, Peter B.

Vulnerability analysis and threat assessment require systematic treatments of adversary and defender characteristics. This work addresses the need for a formal grammar for the modeling and analysis of adversary and defender engagements of interest to the National Nuclear Security Administration (NNSA). Analytical methods treating both linguistic and numerical information should ensure that neither aspect has disproportionate influence on assessment outcomes. The adversary-defender modeling (ADM) grammar employs classical set theory and notation. It is designed to incorporate contributions from subject matter experts in all relevant disciplines, without bias. The Attack Scenario Space U{sub S} is the set universe of all scenarios possible under physical laws. An attack scenario is a postulated event consisting of the active engagement of at least one adversary with at least one defended target. Target Information Space I{sub S} is the universe of information about targets and defenders. Adversary and defender groups are described by their respective Character super-sets, (A){sub P} and (D){sub F}. Each super-set contains six elements: Objectives, Knowledge, Veracity, Plans, Resources, and Skills. The Objectives are the desired end-state outcomes. Knowledge is comprised of empirical and theoretical a priori knowledge and emergent knowledge (learned during an attack), while Veracity is the correspondence of Knowledge with fact or outcome. Plans are ordered activity-task sequences (tuples) with logical contingencies. Resources are the a priori and opportunistic physical assets and intangible attributes applied to the execution of associated Plans elements. Skills for both adversary and defender include the assumed general and task competencies for the associated plan set, the realized value of competence in execution or exercise, and the opponent's planning assumption of the task competence.

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Model reduction of systems with localized nonlinearities

Segalman, Daniel J.

An LDRD funded approach to development of reduced order models for systems with local nonlinearities is presented. This method is particularly useful for problems of structural dynamics, but has potential application in other fields. The key elements of this approach are (1) employment of eigen modes of a reference linear system, (2) incorporation of basis functions with an appropriate discontinuity at the location of the nonlinearity. Galerkin solution using the above combination of basis functions appears to capture the dynamics of the system with a small basis set. For problems involving small amplitude dynamics, the addition of discontinuous (joint) modes appears to capture the nonlinear mechanics correctly while preserving the modal form of the predictions. For problems involving large amplitude dynamics of realistic joint models (macro-slip), the use of appropriate joint modes along with sufficient basis eigen modes to capture the frequencies of the system greatly enhances convergence, though the modal nature the result is lost. Also observed is that when joint modes are used in conjunction with a small number of elastic eigen modes in problems of macro-slip of realistic joint models, the resulting predictions are very similar to those of the full solution when seen through a low pass filter. This has significance both in terms of greatly reducing the number of degrees of freedom of the problem and in terms of facilitating the use of much larger time steps.

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NAS battery demonstration at American Electric Power:a study for the DOE energy storage program

Huff, Georgianne

The first U.S. demonstration of the NGK sodium/sulfur battery technology was launched in August 2002 when a prototype system was installed at a commercial office building in Gahanna, Ohio. American Electric Power served as the host utility that provided the office space and technical support throughout the project. The system was used to both reduce demand peaks (peak-shaving operation) and to mitigate grid power disturbances (power quality operation) at the demonstration site. This report documents the results of the demonstration, provides an economic analysis of a commercial sodium/sulfur battery energy storage system at a typical site, and describes a side-by-side demonstration of the capabilities of the sodium/sulfur battery system, a lead-acid battery system, and a flywheel-based energy storage system in a power quality application.

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Geologic technical assessment of the Chacahoula Salt Dome, Louisiana, for potential expansion of the U.S. strategic petroleum reserve

Lord, Anna S.; Rautman, Christopher A.

The Chacahoula salt dome, located in southern Louisiana, approximately 66 miles southwest of New Orleans, appears to be a suitable site for a 160-million-barrel-capacity expansion facility for the U.S. Strategic Petroleum Reserve, comprising sixteen 10-million barrel underground storage caverns. The overall salt dome appears to cover an area of some 1800 acres, or approximately 2.8 square miles, at a subsea elevation of 2000 ft, which is near the top of the salt stock. The shallowest known salt is present at 1116 ft, subsea. The crest of the salt dome is relatively flatlying, outward to an elevation of -4000 ft. Below this elevation, the flanks of the dome plunge steeply in all directions. The dome appears to comprise two separate spine complexes of quasi-independently moving salt. Two mapped areas of salt overhang, located on the eastern and southeastern flanks of the salt stock, are present below -8000 ft. These regions of overhang should present no particular design issues, as the conceptual design SPR caverns are located in the western portion of the dome. The proposed cavern field may be affected by a boundary shear zone, located between the two salt spines. However, the large size of the Chacahoula salt dome suggests that there is significant design flexibility to deal with such local geologic issues.

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A multi-scale Q1/P0 approach to langrangian shock hydrodynamics

Scovazzi, Guglielmo S.; Love, Edward

A new multi-scale, stabilized method for Q1/P0 finite element computations of Lagrangian shock hydrodynamics is presented. Instabilities (of hourglass type) are controlled by a stabilizing operator derived using the variational multi-scale analysis paradigm. The resulting stabilizing term takes the form of a pressure correction. With respect to currently implemented hourglass control approaches, the novelty of the method resides in its residual-based character. The stabilizing residual has a definite physical meaning, since it embeds a discrete form of the Clausius-Duhem inequality. Effectively, the proposed stabilization samples and acts to counter the production of entropy due to numerical instabilities. The proposed technique is applicable to materials with no shear strength, for which there exists a caloric equation of state. The stabilization operator is incorporated into a mid-point, predictor/multi-corrector time integration algorithm, which conserves mass, momentum and total energy. Encouraging numerical results in the context of compressible gas dynamics confirm the potential of the method.

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The verdict geometric quality library

Pebay, Philippe P.; Knupp, Patrick K.; Thompson, David

Verdict is a collection of subroutines for evaluating the geometric qualities of triangles, quadrilaterals, tetrahedra, and hexahedra using a variety of metrics. A metric is a real number assigned to one of these shapes depending on its particular vertex coordinates. These metrics are used to evaluate the input to finite element, finite volume, boundary element, and other types of solvers that approximate the solution to partial differential equations defined over regions of space. The geometric qualities of these regions is usually strongly tied to the accuracy these solvers are able to obtain in their approximations. The subroutines are written in C++ and have a simple C interface. Each metric may be evaluated individually or in combination. When multiple metrics are evaluated at once, they share common calculations to lower the cost of the evaluation.

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Electronic structure of intrinsic defects in crystalline germanium telluride

Physical Review B - Condensed Matter and Materials Physics

Edwards, Arthur H.; Pineda, Andrew C.; Schultz, Peter A.; Martin, Marcus G.; Thompson, A.P.; Hjalmarson, Harold P.; Umrigar, Cyrus J.

Germanium telluride undergoes rapid transition between polycrystalline and amorphous states under either optical or electrical excitation. While the crystalline phases are predicted to be semiconductors, polycrystalline germanium telluride always exhibits p -type metallic conductivity. We present a study of the electronic structure and formation energies of the vacancy and antisite defects in both known crystalline phases. We show that these intrinsic defects determine the nature of free-carrier transport in crystalline germanium telluride. Germanium vacancies require roughly one-third the energy of the other three defects to form, making this by far the most favorable intrinsic defect. While the tellurium antisite and vacancy induce gap states, the germanium counterparts do not. A simple counting argument, reinforced by integration over the density of states, predicts that the germanium vacancy leads to empty states at the top of the valence band, thus giving a complete explanation of the observed p -type metallic conduction.

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Surface micromachined microfluidics - Example microsystems, challenges and opportunities

Proceedings of the ASME/Pacific Rim Technical Conference and Exhibition on Integration and Packaging of MEMS, NEMS, and Electronic Systems: Advances in Electronic Packaging 2005

Galambos, Paul C.; James, Conrad D.

A variety of fabrication techniques have been used to make microfluidic microsystems: bulk etching in silicon and glass, plastic molding and machining, and PDMS (silicone) casting. Surprisingly the most widely used method of integrated circuit (IC) fabrication (surface micromachining - SMM) has not been extensively utilized in microfluidics despite its wide use in MEMS. There are economic reasons that SMM is not often used in microfluidics; high infrastructure and start-up costs and relatively long fabrication times: and there are technical reasons; packaging difficulties, dominance of surface forces, and fluid volume scaling issues. However, there are also important technical and economic advantages for SMM microfluidics relating to large-scale batch, no-assembly fabrication, and intimate integration of mechanical, electrical, microfluidic, and nano-scale sub-systems on one chip. In our work at Sandia National Laboratories MDL (Microelectronics Development Lab) we have built on the existing MEMS SMM infrastructure to produce a variety of microfluidic microsystems. These example microsystems illustrate the challenges and opportunities associated with SMM microfluidics. In this paper we briefly discuss two SMM microfluidic microsystems (made in the SUMMiT™ and SwIFT™ processes - www.mdl.sandia.gov/micromachine ) in terms of technical challenges and unique SMM microfluidics opportunities. The two example microsystems are a DEP (dielectrophoretic) trap, and a drop ejector patterning system. Copyright © 2005 by ASME.

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Quadratic finite elements and incompressible viscous flows

Computer Methods in Applied Mechanics and Engineering

Gartling, David K.; Dohrmann, Clark R.

Pressure stabilization methods are applied to higher-order velocity finite elements for application to viscous incompressible flows. Both a standard pressure stabilizing Petrov-Galerkin (PSPG) method and a new polynomial pressure projection stabilization (PPPS) method have been implemented and tested for various quadratic elements in two dimensions. A preconditioner based on relaxing the incompressibility constraint is also tested for the iterative solution of saddle point problems arising from mixed Galerkin finite element approximations to the Navier-Stokes equations. The preconditioner is demonstrated for BB stable elements with discontinuous pressure approximations in two and three dimensions.

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Automated surface micro-machining mask creation from a 3D model

Microsystem Technologies

Schiek, Richard; Schmidt, Rodney C.

We have developed and implemented a method, which given a three-dimensional object can infer from topology the two-dimensional masks needed to produce that object with surface micromachining. The masks produced by this design tool can be generic, process independent masks, or if given process constraints, specific for a target process. This design tool calculates the two-dimensional mask set required to produce a given three-dimensional model by investigating the vertical topology to the model. The 3D model is first separated into bodies that are non-intersecting, made from different materials or only linked through a ground plane. Next, for each body unique vertical cross sections are located and arranged into a tree based on their topological relationship. A branch-wise search of the tree uncovers locations where deposition boundaries must lie and identifies candidate masks creating a generic mask set for the 3D model. Finally, in the last step specific process requirements are considered that may constrain the generic mask set. Constraints can include the thickness or number of deposition layers, specific ordering of masks as required by a process and type of material used in a given layer. Candidate masks are reconciled with the process constraints through a constrained optimization.

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Effect of anatomical fine structure on the flow of cerebrospinal fluid in the spinal subarachnoid space

Journal of Biomechanical Engineering

Stockman, Harlan W.

The lattice Boltzmann method is used to model oscillatory flow in the spinal subarachnoid space. The effect of obstacles such as trabeculae, nerve bundles, and ligaments on fluid velocity profiles appears to be small, when the flow is averaged over the length of a vertebra. Averaged fluid flow in complex models is little different from flow in corresponding elliptical annular cavities. However, the obstacles stir the flow locally and may be more significant in studies of tracer dispersion. Copyright © 2006 by ASME.

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Misorientation mapping for visualization of plastic deformation via electron back-scattered diffraction

Microscopy and Microanalysis

Brewer, L.N.; Othon, M.A.; Young, L.M.; Angeliu, T.M.

The ability to map plastic deformation around high strain gradient microstructural features is central in studying phenomena such as fatigue and stress corrosion cracking. A method for the visualization of plastic deformation in electron back-scattered diffraction (EBSD) data has been developed and is described in this article. This technique is based on mapping the intragrain misorientation in polycrystalline metals. The algorithm maps the scalar misorientation between a local minimum misorientation reference pixel and every other pixel within an individual grain. A map around the corner of a Vickers indentation in 304 stainless steel was used as a test case. Several algorithms for EBSD mapping were then applied to the deformation distributions around air fatigue and stress corrosion cracks in 304 stainless steel. Using this technique, clear visualization of a deformation zone around high strain gradient microstructural features (crack tips, indentations, etc.) is possible with standard EBSD data. © Microscopy Society of America 2006.

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Robust design and model validation of nonlinear compliant micromechanisms

Journal of Microelectromechanical Systems

Wittwer, Jonathan W.; Baker, Michael S.; Howell, Larry L.

Although the use of compliance or elastic flexibility in microelectromechanical systems (MEMS) helps eliminate friction, wear, and backlash, compliant MEMS are known to be sensitive to variations in material properties and feature geometry, resulting in large uncertainties in performance. This paper proposes an approach for design stage uncertainty analysis, model validation, and robust optimization of nonlinear MEMS to account for critical process uncertainties including residual stress, layer thicknesses, edge bias, and material stiffness. A fully compliant bistable micromechanism (FCBM) is used as an example, demonstrating that the approach can be used to handle complex devices involving nonlinear finite element models. The general shape of the force-displacement curve is validated by comparing the uncertainty predictions to measurements obtained from in situ force gauges. A robust design is presented, where simulations show that the estimated force variation at the point of interest may be reduced from ±47 μN to ±3 μN. The reduced sensitivity to process variations is experimentally validated by measuring the second stable position at multiple locations on a wafer. © 2006 IEEE.

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Prediction of β-strand packing interactions using the signature product

Journal of Molecular Modeling

Brown, W.M.; Martin, Shawn; Chabarek, Joseph P.; Strauss, Charlie; Faulon, Jean-Loup M.

The prediction of β-sheet topology requires the consideration of long-range interactions between β-strands that are not necessarily consecutive in sequence. Since these interactions are difficult to simulate using ab initio methods, we propose a supplementary method able to assign β-sheet topology using only sequence information. We envision using the results of our method to reduce the three-dimensional search space of ab initio methods. Our method is based on the signature molecular descriptor, which has been used previously to predict protein-protein interactions successfully, and to develop quantitative structure-activity relationships for small organic drugs and peptide inhibitors. Here, we show how the signature descriptor can be used in a Support Vector Machine to predict whether or not two β-strands will pack adjacently within a protein. We then show how these predictions can be used to order β-strands within β-sheets. Using the entire PDB database with ten-fold cross-validation, we have achieved 74.0% accuracy in packing prediction and 75.6% accuracy in the prediction of edge strands. For the case of β-strand ordering, we are able to predict the correct ordering accurately for 51.3% of the β-sheets. Furthermore, using a simple confidence metric, we can determine those sheets for which accurate predictions can be obtained. For the top 25% highest confidence predictions, we are able to achieve 95.7% accuracy in β-strand ordering. © Springer-Verlag 2005.

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Results 84701–84800 of 99,299
Results 84701–84800 of 99,299