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Multilevel methods for eigenspace computations in structural dynamics

Lehoucq, Richard B.; Hetmaniuk, Ulrich; Hetmaniuk, Ulrich

Modal analysis of three-dimensional structures frequently involves finite element discretizations with millions of unknowns and requires computing hundreds or thousands of eigenpairs. In this presentation we review methods based on domain decomposition for such eigenspace computations in structural dynamics. We distinguish approaches that solve the eigenproblem algebraically (with minimal connections to the underlying partial differential equation) from approaches that tightly couple the eigensolver with the partial differential equation.

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A meshfree method based on the peridynamic model of solid mechanics

Proposed for publication in Computers and Structures.

Silling, Stewart

An alternative theory of solid mechanics, known as the peridynamic theory, formulates problems in terms of integral equations rather than partial differential equations. This theory assumes that particles in a continuum interact with each other across a finite distance, as in molecular dynamics. Damage is incorporated in the theory at the level of these two-particle interactions, so localization and fracture occur as a natural outgrowth of the equation of motion and constitutive models. A numerical method for solving dynamic problems within the peridynamic theory is described. Accuracy and numerical stability are discussed. Examples illustrate the properties of the method for modeling brittle dynamic crack growth.

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Supervised machine learning for modeling human recognition of vehicle-driving situations

2005 IEEE/RSJ International Conference on Intelligent Robots and Systems, IROS

Dixon, Kevin R.; Lippitt, Carl E.; Forsythe, James C.

A classification system is developed to identify driving situations from labeled examples of previous occurrences. The purpose of the classifier is to provide physical context to a separate system that mitigates unnecessary distractions, allowing the driver to maintain focus during periods of high difficulty. While watching videos of driving, we asked different users to indicate their perceptions of the current situation. We then trained a classifier to emulate the human recognition of driving situations using the Sandia Cognitive Framework. In unstructured conditions, such as driving in urban areas and the German autobahn, the classifier was able to correctly predict human perceptions of driving situations over 95% of the time. This paper focuses on the learning algorithms used to train the driving-situation classifier. Future work will reduce the human efforts needed to train the system. © 2005 IEEE.

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Solving elliptic finite element systems in near-linear time with support preconditioners

Proposed for publication in the SIAM Journal on Matrix Analysis.

Boman, Erik G.; Hendrickson, Bruce A.

We consider linear systems arising from the use of the finite element method for solving a certain class of linear elliptic problems. Our main result is that these linear systems, which are symmetric and positive semidefinite, are well approximated by symmetric diagonally dominant matrices. Our framework for defining matrix approximation is support theory. Significant graph theoretic work has already been developed in the support framework for preconditioners in the diagonally dominant case, and in particular it is known that such systems can be solved with iterative methods in nearly linear time. Thus, our approximation result implies that these graph theoretic techniques can also solve a class of finite element problems in nearly linear time. We show that the quality of our approximation, which controls the number of iterations in the preconditioned iterative solver, depends primarily on a mesh quality measure but not on the problem size or shape of the domain.

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A scalable parallel graph coloring algorithm for distributed memory computers

Lecture Notes in Computer Science

Boman, Erik G.; Bozdaǧ, Doruk; Catalyurek, Umit; Gebremedhin, Assefaw H.; Manne, Fredrik

In large-scale parallel applications a graph coloring is often carried out to schedule computational tasks. In this paper, we describe a new distributed-memory algorithm for doing the coloring itself in parallel. The algorithm operates in an iterative fashion; in each round vertices are speculatively colored based on limited information, and then a set of incorrectly colored vertices, to be recolored in the next round, is identified. Parallel speedup is achieved in part by reducing the frequency of communication among processors. Experimental results on a PC cluster using up to 16 processors show that the algorithm is scalable. © Springer-Verlag Berlin Heidelberg 2005.

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A scalable distributed parallel breadth-first search algorithm on BlueGene/L

Proceedings of the ACM/IEEE 2005 Supercomputing Conference, SC'05

Yoo, Andy; Chow, Edmond; Henderson, Keith; McLendon, William; Hendrickson, Bruce A.; Çatalyürek, Ümit

Many emerging large-scale data science applications require searching large graphs distributed across multiple memories and processors. This paper presents a distributed breadth-first search (BFS) scheme that scales for random graphs with up to three billion vertices and 30 billion edges. Scalability was tested on IBM BlueGene/L with 32,768 nodes at the Lawrence Livermore National Laboratory. Scalability was obtained through a series of optimizations, in particular, those that ensure scalable use of memory. We use 2D (edge) partitioning of the graph instead of conventional ID (vertex) partitioning to reduce communication overhead. For Poisson random graphs, we show that the expected size of the messages is scalable for both 2D and ID partitionings. Finally, we have developed efficient collective communication functions for the 3D torus architecture of BlueGene/L that also take advantage of the structure in the problem. The performance and characteristics of the algorithm are measured and reported. © 2005 IEEE.

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Finding strongly connected components in distributed graphs

Journal of Parallel and Distributed Computing

McLendon, William; Hendrickson, Bruce A.; Plimpton, Steven J.; Rauchwerger, Lawrence

The traditional, serial, algorithm for finding the strongly connected components in a graph is based on depth first search and has complexity which is linear in the size of the graph. Depth first search is difficult to parallelize, which creates a need for a different parallel algorithm for this problem. We describe the implementation of a recently proposed parallel algorithm that finds strongly connected components in distributed graphs, and discuss how it is used in a radiation transport solver. © 2005 Elsevier Inc. All rights reserved.

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Genomes to life project quarterly report June 2004

Heffelfinger, Grant S.; Martino, Anthony; Rintoul, Mark D.

This SAND report provides the technical progress through June 2004 of the Sandia-led project, ''Carbon Sequestration in Synechococcus Sp.: From Molecular Machines to Hierarchical Modeling'', funded by the DOE Office of Science Genomes to Life Program. Understanding, predicting, and perhaps manipulating carbon fixation in the oceans has long been a major focus of biological oceanography and has more recently been of interest to a broader audience of scientists and policy makers. It is clear that the oceanic sinks and sources of CO{sub 2} are important terms in the global environmental response to anthropogenic atmospheric inputs of CO{sub 2} and that oceanic microorganisms play a key role in this response. However, the relationship between this global phenomenon and the biochemical mechanisms of carbon fixation in these microorganisms is poorly understood. In this project, we will investigate the carbon sequestration behavior of Synechococcus Sp., an abundant marine cyanobacteria known to be important to environmental responses to carbon dioxide levels, through experimental and computational methods. This project is a combined experimental and computational effort with emphasis on developing and applying new computational tools and methods. Our experimental effort will provide the biology and data to drive the computational efforts and include significant investment in developing new experimental methods for uncovering protein partners, characterizing protein complexes, identifying new binding domains. We will also develop and apply new data measurement and statistical methods for analyzing microarray experiments. Computational tools will be essential to our efforts to discover and characterize the function of the molecular machines of Synechococcus. To this end, molecular simulation methods will be coupled with knowledge discovery from diverse biological data sets for high-throughput discovery and characterization of protein-protein complexes. In addition, we will develop a set of novel capabilities for inference of regulatory pathways in microbial genomes across multiple sources of information through the integration of computational and experimental technologies. These capabilities will be applied to Synechococcus regulatory pathways to characterize their interaction map and identify component proteins in these pathways. We will also investigate methods for combining experimental and computational results with visualization and natural language tools to accelerate discovery of regulatory pathways. The ultimate goal of this effort is develop and apply new experimental and computational methods needed to generate a new level of understanding of how the Synechococcus genome affects carbon fixation at the global scale. Anticipated experimental and computational methods will provide ever-increasing insight about the individual elements and steps in the carbon fixation process, however relating an organism's genome to its cellular response in the presence of varying environments will require systems biology approaches. Thus a primary goal for this effort is to integrate the genomic data generated from experiments and lower level simulations with data from the existing body of literature into a whole cell model. We plan to accomplish this by developing and applying a set of tools for capturing the carbon fixation behavior of complex of Synechococcus at different levels of resolution. Finally, the explosion of data being produced by high-throughput experiments requires data analysis and models which are more computationally complex, more heterogeneous, and require coupling to ever increasing amounts of experimentally obtained data in varying formats. These challenges are unprecedented in high performance scientific computing and necessitate the development of a companion computational infrastructure to support this effort.

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Model-building codes for membrane proteins

Brown, William M.; Faulon, Jean-Loup M.; Gray, Genetha A.; Hunt, Thomas W.; Schoeniger, Joseph S.; Slepoy, Alexander S.; Young, Malin M.

We have developed a novel approach to modeling the transmembrane spanning helical bundles of integral membrane proteins using only a sparse set of distance constraints, such as those derived from MS3-D, dipolar-EPR and FRET experiments. Algorithms have been written for searching the conformational space of membrane protein folds matching the set of distance constraints, which provides initial structures for local conformational searches. Local conformation search is achieved by optimizing these candidates against a custom penalty function that incorporates both measures derived from statistical analysis of solved membrane protein structures and distance constraints obtained from experiments. This results in refined helical bundles to which the interhelical loops and amino acid side-chains are added. Using a set of only 27 distance constraints extracted from the literature, our methods successfully recover the structure of dark-adapted rhodopsin to within 3.2 {angstrom} of the crystal structure.

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ALEGRA : version 4.6

Wong, Michael K.; Brunner, Thomas A.; Garasi, Christopher J.; Haill, Thomas A.; Mehlhorn, Thomas A.; Drake, Richard R.; Hensinger, David M.; Robbins, Joshua; Robinson, Allen C.; Summers, Randall M.; Voth, Thomas E.

ALEGRA is an arbitrary Lagrangian-Eulerian multi-material finite element code used for modeling solid dynamics problems involving large distortion and shock propagation. This document describes the basic user input language and instructions for using the software.

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Sensitivity technologies for large scale simulation

Bartlett, Roscoe; Collis, Samuel S.; Keiter, Eric R.; Ober, Curtis C.; Smith, Thomas M.

Sensitivity analysis is critically important to numerous analysis algorithms, including large scale optimization, uncertainty quantification,reduced order modeling, and error estimation. Our research focused on developing tools, algorithms and standard interfaces to facilitate the implementation of sensitivity type analysis into existing code and equally important, the work was focused on ways to increase the visibility of sensitivity analysis. We attempt to accomplish the first objective through the development of hybrid automatic differentiation tools, standard linear algebra interfaces for numerical algorithms, time domain decomposition algorithms and two level Newton methods. We attempt to accomplish the second goal by presenting the results of several case studies in which direct sensitivities and adjoint methods have been effectively applied, in addition to an investigation of h-p adaptivity using adjoint based a posteriori error estimation. A mathematical overview is provided of direct sensitivities and adjoint methods for both steady state and transient simulations. Two case studies are presented to demonstrate the utility of these methods. A direct sensitivity method is implemented to solve a source inversion problem for steady state internal flows subject to convection diffusion. Real time performance is achieved using novel decomposition into offline and online calculations. Adjoint methods are used to reconstruct initial conditions of a contamination event in an external flow. We demonstrate an adjoint based transient solution. In addition, we investigated time domain decomposition algorithms in an attempt to improve the efficiency of transient simulations. Because derivative calculations are at the root of sensitivity calculations, we have developed hybrid automatic differentiation methods and implemented this approach for shape optimization for gas dynamics using the Euler equations. The hybrid automatic differentiation method was applied to a first order approximation of the Euler equations and used as a preconditioner. In comparison to other methods, the AD preconditioner showed better convergence behavior. Our ultimate target is to perform shape optimization and hp adaptivity using adjoint formulations in the Premo compressible fluid flow simulator. A mathematical formulation for mixed-level simulation algorithms has been developed where different physics interact at potentially different spatial resolutions in a single domain. To minimize the implementation effort, explicit solution methods can be considered, however, implicit methods are preferred if computational efficiency is of high priority. We present the use of a partial elimination nonlinear solver technique to solve these mixed level problems and show how these formulation are closely coupled to intrusive optimization approaches and sensitivity analyses. Production codes are typically not designed for sensitivity analysis or large scale optimization. The implementation of our optimization libraries into multiple production simulation codes in which each code has their own linear algebra interface becomes an intractable problem. In an attempt to streamline this task, we have developed a standard interface between the numerical algorithm (such as optimization) and the underlying linear algebra. These interfaces (TSFCore and TSFCoreNonlin) have been adopted by the Trilinos framework and the goal is to promote the use of these interfaces especially with new developments. Finally, an adjoint based a posteriori error estimator has been developed for discontinuous Galerkin discretization of Poisson's equation. The goal is to investigate other ways to leverage the adjoint calculations and we show how the convergence of the forward problem can be improved by adapting the grid using adjoint-based error estimates. Error estimation is usually conducted with continuous adjoints but if discrete adjoints are available it may be possible to reuse the discrete version for error estimation. We investigate the advantages and disadvantages of continuous and discrete adjoints through a simple example.

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Sandia National Laboratories Advanced Simulation and Computing (ASC) software quality plan. Part 1 : ASC software quality engineering practices version 1.0

Boucheron, Edward A.; Schofield, Joseph R.; Drake, Richard R.; Edwards, Harold C.; Minana, Molly A.; Forsythe, Christi A.; Heaphy, Robert T.; Hodges, Ann L.; Pavlakos, Constantine; Sturtevant, Judith E.

The purpose of the Sandia National Laboratories (SNL) Advanced Simulation and Computing (ASC) Software Quality Plan is to clearly identify the practices that are the basis for continually improving the quality of ASC software products. Quality is defined in DOE/AL Quality Criteria (QC-1) as conformance to customer requirements and expectations. This quality plan defines the ASC program software quality practices and provides mappings of these practices to the SNL Corporate Process Requirements (CPR 1.3.2 and CPR 1.3.6) and the Department of Energy (DOE) document, ASCI Software Quality Engineering: Goals, Principles, and Guidelines (GP&G). This quality plan identifies ASC management and software project teams' responsibilities for cost-effective software engineering quality practices. The SNL ASC Software Quality Plan establishes the signatories commitment to improving software products by applying cost-effective software engineering quality practices. This document explains the project teams opportunities for tailoring and implementing the practices; enumerates the practices that compose the development of SNL ASC's software products; and includes a sample assessment checklist that was developed based upon the practices in this document.

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Graduated embodiment for sophisticated agent evolution and optimization

Boslough, Mark; Peters, Michael D.; Pierson, Arthurine R.

We summarize the results of a project to develop evolutionary computing methods for the design of behaviors of embodied agents in the form of autonomous vehicles. We conceived and implemented a strategy called graduated embodiment. This method allows high-level behavior algorithms to be developed using genetic programming methods in a low-fidelity, disembodied modeling environment for migration to high-fidelity, complex embodied applications. This project applies our methods to the problem domain of robot navigation using adaptive waypoints, which allow navigation behaviors to be ported among autonomous mobile robots with different degrees of embodiment, using incremental adaptation and staged optimization. Our approach to biomimetic behavior engineering is a hybrid of human design and artificial evolution, with the application of evolutionary computing in stages to preserve building blocks and limit search space. The methods and tools developed for this project are directly applicable to other agent-based modeling needs, including climate-related conflict analysis, multiplayer training methods, and market-based hypothesis evaluation.

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Robust algebraic preconditioners using IFPACK 3.0

Sala, Marzio; Heroux, Michael A.

IFPACK provides a suite of object-oriented algebraic preconditioners for the solution of preconditioned iterative solvers. IFPACK constructors expect the (distributed) real sparse matrix to be an Epetra RowMatrix object. IFPACK can be used to define point and block relaxation preconditioners, various flavors of incomplete factorizations for symmetric and non-symmetric matrices, and one-level additive Schwarz preconditioners with variable overlap. Exact LU factorizations of the local submatrix can be accessed through the AMESOS packages. IFPACK , as part of the Trilinos Solver Project, interacts well with other Trilinos packages. In particular, IFPACK objects can be used as preconditioners for AZTECOO, and as smoothers for ML. IFPACK is mainly written in C++, but only a limited subset of C++ features is used, in order to enhance portability.

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A fast high accuracy volume renderer for unstructured data

Proceedings - IEEE Symposium on Volume Visualization and Graphics 2004. VolVis 2004

Moreland, Kenneth D.; Angel, Edward

In this paper, we describe an unstructured mesh volume renderer. Our renderer is interactive and accurately integrates light intensity an order of magnitude faster than previous methods. We employ a projective technique that takes advantage of the expanded programmability of the latest 3D graphics hardware. We also analyze an optical model commonly used for scientific volume rendering and derive a new method to compute it that is very accurate but computationally feasible in real time. We demonstrate a system that can accurately produce a volume rendering of an unstructured mesh with a first-order approximation to any classification method. Furthermore, our system is capable of rendering over 300 thousand tetrahedra per second yet is independent of the classification scheme used. © 2004 IEEE.

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Large-scale stabilized FE computational analysis of nonlinear steady state transport/reaction systems

Proposed for publication in Computation Methods in Applied Mechanics and Engineering.

Shadid, John N.; Salinger, Andrew G.; Pawlowski, Roger; Lin, Paul T.; Hennigan, Gary L.; Tuminaro, Raymond S.; Lehoucq, Richard B.

The solution of the governing steady transport equations for momentum, heat and mass transfer in fluids undergoing non-equilibrium chemical reactions can be extremely challenging. The difficulties arise from both the complexity of the nonlinear solution behavior as well as the nonlinear, coupled, non-symmetric nature of the system of algebraic equations that results from spatial discretization of the PDEs. In this paper, we briefly review progress on developing a stabilized finite element ( FE) capability for numerical solution of these challenging problems. The discussion considers the stabilized FE formulation for the low Mach number Navier-Stokes equations with heat and mass transport with non-equilibrium chemical reactions, and the solution methods necessary for detailed analysis of these complex systems. The solution algorithms include robust nonlinear and linear solution schemes, parameter continuation methods, and linear stability analysis techniques. Our discussion considers computational efficiency, scalability, and some implementation issues of the solution methods. Computational results are presented for a CFD benchmark problem as well as for a number of large-scale, 2D and 3D, engineering transport/reaction applications.

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Performance of fully-coupled algebraic multilevel domain decomposition preconditioners for incompressible flow and transport

Proposed for publication in International Journal for Numerical Methods in Engineering.

Sala, Marzio; Shadid, John N.; Tuminaro, Raymond S.

This study investigates algebraic multilevel domain decomposition preconditioners of the Schwarz type for solving linear systems associated with Newton-Krylov methods. The key component of the preconditioner is a coarse approximation based on algebraic multigrid ideas to approximate the global behavior of the linear system. The algebraic multilevel preconditioner is based on an aggressive coarsening graph partitioning of the non-zero block structure of the Jacobian matrix. The scalability of the preconditioner is presented as well as comparisons with a two-level Schwarz preconditioner using a geometric coarse grid operator. These comparisons are obtained on large-scale distributed-memory parallel machines for systems arising from incompressible flow and transport using a stabilized finite element formulation. The results demonstrate the influence of the smoothers and coarse level solvers for a set of 3D example problems. For preconditioners with more than one level, careful attention needs to be given to the balance of robustness and convergence rate for the smoothers and the cost of applying these methods. For properly chosen parameters, the two- and three-level preconditioners are demonstrated to be scalable to 1024 processors.

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Locally conservative least-squares finite element methods for Darcy flows

Proposed for publication in Computer Methods in Applied Mechanics and Engineering.

Bochev, Pavel

Least-squares finite-element methods for Darcy flow offer several advantages relative to the mixed-Galerkin method: the avoidance of stability conditions between finite-element spaces, the efficiency of solving symmetric and positive definite systems, and the convenience of using standard, continuous nodal elements for all variables. However, conventional C{sup o} implementations conserve mass only approximately and for this reason they have found limited acceptance in applications where locally conservative velocity fields are of primary interest. In this paper, we show that a properly formulated compatible least-squares method offers the same level of local conservation as a mixed method. The price paid for gaining favourable conservation properties is that one has to give up what is arguably the least important advantage attributed to least-squares finite-element methods: one can no longer use continuous nodal elements for all variables. As an added benefit, compatible least-squares methods inherit the best computational properties of both Galerkin and mixed-Galerkin methods and, in some cases, yield identical results, while offering the advantages of not having to deal with stability conditions and yielding positive definite discrete problems. Numerical results that illustrate our findings are provided.

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Identifying generalities in data sets using periodic Hopfield networks : initial status report

Link, Hamilton E.; Backer, Alejandro

We present a novel class of dynamic neural networks that is capable of learning, in an unsupervised manner, attractors that correspond to generalities in a data set. Upon presentation of a test stimulus, the networks follow a sequence of attractors that correspond to subsets of increasing size or generality in the original data set. The networks, inspired by those of the insect antennal lobe, build upon a modified Hopfield network in which nodes are periodically suppressed, global inhibition is gradually strengthened, and the weight of input neurons is gradually decreased relative to recurrent connections. This allows the networks to converge on a Hopfield network's equilibrium within each suppression cycle, and to switch between attractors in between cycles. The fast mutually reinforcing excitatory connections that dominate dynamics within cycles ensures the robust error-tolerant behavior that characterizes Hopfield networks. The cyclic inhibition releases the network from what would otherwise be stable equilibriums or attractors. Increasing global inhibition and decreasing dependence on the input leads successive attractors to differ, and to display increasing generality. As the network is faced with stronger inhibition, only neurons connected with stronger mutually excitatory connections will remain on; successive attractors will consist of sets of neurons that are more strongly correlated, and will tend to select increasingly generic characteristics of the data. Using artificial data, we were able to identify configurations of the network that appeared to produce a sequence of increasingly general results. The next logical steps are to apply these networks to suitable real-world data that can be characterized by a hierarchy of increasing generality and observe the network's performance. This report describes the work, data, and results, the current understanding of the results, and how the work could be continued. The code, data, and preliminary results are included and are available as an archive.

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Development of the augmented musculature device

Rohrer, Brandon R.; Pankretz, Ty

We developed an Augmented Musculature Device (AMD) that assists the movements of its wearer. It has direct application to aiding military and law enforcement personnel, the neurologically impaired, or those requiring any type of cybernetic assistance. The AMD consists of a collection of artificial muscles, each individually actuated, strategically placed along the surface of the human body. The actuators employed by the AMD are known as 'air muscles' and operate pneumatically. They are commercially available from several vendors and are relatively inexpensive. They have a remarkably high force-to-weight ratio--as high as 400:1 (as compared with 16:1 typical of DC motors). They are flexible and elastic, even when powered, making them ideal for interaction with humans.

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Integration of biological ion channels onto optically addressable micro-fluidic electrode arrays for single molecule characterization

Brozik, Susan M.; Carles, Elizabeth L.; Flemming, Jeb H.; Bachand, George D.; Frink, Laura J.

The challenge of modeling the organization and function of biological membranes on a solid support has received considerable attention in recent years, primarily driven by potential applications in biosensor design. Affinity-based biosensors show great promise for extremely sensitive detection of BW agents and toxins. Receptor molecules have been successfully incorporated into phospholipid bilayers supported on sensing platforms. However, a collective body of data detailing a mechanistic understanding of membrane processes involved in receptor-substrate interactions and the competition between localized perturbations and delocalized responses resulting in reorganization of transmembrane protein structure, has yet to be produced. This report describes a systematic procedure to develop detailed correlation between (recognition-induced) protein restructuring and function of a ligand gated ion channel by combining single molecule fluorescence spectroscopy and single channel current recordings. This document is divided into three sections: (1) reported are the thermodynamics and diffusion properties of gramicidin using single molecule fluorescence imaging and (2) preliminary work on the 5HT{sub 3} serotonin receptor. Thirdly, we describe the design and fabrication of a miniaturized platform using the concepts of these two technologies (spectroscopic and single channel electrochemical techniques) for single molecule analysis, with a longer term goal of using the physical and electronic changes caused by a specific molecular recognition event as a transduction pathway in affinity based biosensors for biotoxin detection.

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Climate change effects on international stability : a white paper

Boslough, Mark; Sprigg, James A.; Backus, George A.; Taylor, Mark A.; Mcnamara, Laura A.; Murphy, Kathryn; Malczynski, Leonard A.

This white paper represents a summary of work intended to lay the foundation for development of a climatological/agent model of climate-induced conflict. The paper combines several loosely-coupled efforts and is the final report for a four-month late-start Laboratory Directed Research and Development (LDRD) project funded by the Advanced Concepts Group (ACG). The project involved contributions by many participants having diverse areas of expertise, with the common goal of learning how to tie together the physical and human causes and consequences of climate change. We performed a review of relevant literature on conflict arising from environmental scarcity. Rather than simply reviewing the previous work, we actively collected data from the referenced sources, reproduced some of the work, and explored alternative models. We used the unfolding crisis in Darfur (western Sudan) as a case study of conflict related to or triggered by climate change, and as an exercise for developing a preliminary concept map. We also outlined a plan for implementing agents in a climate model and defined a logical progression toward the ultimate goal of running both types of models simultaneously in a two-way feedback mode, where the behavior of agents influences the climate and climate change affects the agents. Finally, we offer some ''lessons learned'' in attempting to keep a diverse and geographically dispersed group working together by using Web-based collaborative tools.

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The Common Geometry Module (CGM)

Tautges, Timothy J.

The Common Geometry Module (CGM) is a code library which provides geometry functionality used for mesh generation and other applications. This functionality includes that commonly found in solid modeling engines, like geometry creation, query and modification; CGM also includes capabilities not commonly found in solid modeling engines, like geometry decomposition tools and support for shared material interfaces. CGM is built upon the ACIS solid modeling engine, but also includes geometry capability developed beside and on top of ACIS. CGM can be used as-is to provide geometry functionality for codes needing this capability. However, CGM can also be extended using derived classes in C++, allowing the geometric model to serve as the basis for other applications, for example mesh generation. CGM is supported on Sun Solaris, SGI, HP, IBM, DEC, Linux and Windows NT platforms. CGM also includes support for loading ACIS models on parallel computers, using MPI-based communication. Future plans for CGM are to port it to different solid modeling engines, including Pro/Engineer or SolidWorks. CGM is being released into the public domain under an LGPL license; the ACIS-based engine is available to ACIS licensees on request.

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Reversible logic for supercomputing

Debenedictis, Erik

This paper is about making reversible logic a reality for supercomputing. Reversible logic offers a way to exceed certain basic limits on the performance of computers, yet a powerful case will have to be made to justify its substantial development expense. This paper explores the limits of current, irreversible logic for supercomputers, thus forming a threshold above which reversible logic is the only solution. Problems above this threshold are discussed, with the science and mitigation of global warming being discussed in detail. To further develop the idea of using reversible logic in supercomputing, a design for a 1 Zettaflops supercomputer as required for addressing global climate warming is presented. However, to create such a design requires deviations from the mainstream of both the software for climate simulation and research directions of reversible logic. These deviations provide direction on how to make reversible logic practical

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Final report : compliant thermo-mechanical MEMS actuators, LDRD #52553

Baker, Michael S.; Plass, Richard A.; Headley, Thomas J.; Walraven, Jeremy A.

Thermal actuators have proven to be a robust actuation method in surface-micromachined MEMS processes. Their higher output force and lower input voltage make them an attractive alternative to more traditional electrostatic actuation methods. A predictive model of thermal actuator behavior has been developed and validated that can be used as a design tool to customize the performance of an actuator to a specific application. This tool has also been used to better understand thermal actuator reliability by comparing the maximum actuator temperature to the measured lifetime. Modeling thermal actuator behavior requires the use of two sequentially coupled models, the first to predict the temperature increase of the actuator due to the applied current and the second to model the mechanical response of the structure due to the increase in temperature. These two models have been developed using Matlab for the thermal response and ANSYS for the structural response. Both models have been shown to agree well with experimental data. In a parallel effort, the reliability and failure mechanisms of thermal actuators have been studied. Their response to electrical overstress and electrostatic discharge has been measured and a study has been performed to determine actuator lifetime at various temperatures and operating conditions. The results from this study have been used to determine a maximum reliable operating temperature that, when used in conjunction with the predictive model, enables us to design in reliability and customize the performance of an actuator at the design stage.

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Seeded perturbations in wire array z-pinches

Jones, Brent M.; Deeney, Christopher D.; Mckenney, John; Garasi, Christopher J.; Mehlhorn, Thomas A.; Robinson, Allen C.; Wunsch, Scott E.

The impact of 3D structure on wire array z-pinch dynamics is a topic of current interest, and has been studied by the controlled seeding of wire perturbations. First, Al wires were etched at Sandia, creating 20% radial perturbations with variable axial wavelength. Observations of magnetic bubble formation in the etched regions during experiments on the MAGPIE accelerator are discussed and compared to 3D MHD modeling. Second, thin NaF coatings of 1 mm axial extent were deposited on Al wires and fielded on the Zebra accelerator. Little or no axial transport of the NaF spectroscopic dopant was observed in spatially resolved K-shell spectra, which places constraints on particle diffusivity in dense z-pinch plasmas. Finally, technology development for seeding perturbations is discussed.

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Full employment and competition in the Aspen economic model: implications for modeling acts of terrorism

Sprigg, James A.; Ehlen, Mark

Acts of terrorism could have a range of broad impacts on an economy, including changes in consumer (or demand) confidence and the ability of productive sectors to respond to changes. As a first step toward a model of terrorism-based impacts, we develop here a model of production and employment that characterizes dynamics in ways useful toward understanding how terrorism-based shocks could propagate through the economy; subsequent models will introduce the role of savings and investment into the economy. We use Aspen, a powerful economic modeling tool developed at Sandia, to demonstrate for validation purposes that a single-firm economy converges to the known monopoly equilibrium price, output, and employment levels, while multiple-firm economies converge toward the competitive equilibria typified by lower prices and higher output and employment. However, we find that competition also leads to churn by consumers seeking lower prices, making it difficult for firms to optimize with respect to wages, prices, and employment levels. Thus, competitive firms generate market ''noise'' in the steady state as they search for prices and employment levels that will maximize profits. In the context of this model, not only could terrorism depress overall consumer confidence and economic activity but terrorist acts could also cause normal short-run dynamics to be misinterpreted by consumers as a faltering economy.

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Market disruption, cascading effects, and economic recovery:a life-cycle hypothesis model

Sprigg, James A.

This paper builds upon previous work [Sprigg and Ehlen, 2004] by introducing a bond market into a model of production and employment. The previous paper described an economy in which households choose whether to enter the labor and product markets based on wages and prices. Firms experiment with prices and employment levels to maximize their profits. We developed agent-based simulations using Aspen, a powerful economic modeling tool developed at Sandia, to demonstrate that multiple-firm economies converge toward the competitive equilibria typified by lower prices and higher output and employment, but also suffer from market noise stemming from consumer churn. In this paper we introduce a bond market as a mechanism for household savings. We simulate an economy of continuous overlapping generations in which each household grows older in the course of the simulation and continually revises its target level of savings according to a life-cycle hypothesis. Households can seek employment, earn income, purchase goods, and contribute to savings until they reach the mandatory retirement age; upon retirement households must draw from savings in order to purchase goods. This paper demonstrates the simultaneous convergence of product, labor, and savings markets to their calculated equilibria, and simulates how a disruption to a productive sector will create cascading effects in all markets. Subsequent work will use similar models to simulate how disruptions, such as terrorist attacks, would interplay with consumer confidence to affect financial markets and the broader economy.

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PRAM C:a new programming environment for fine-grain and coarse-grain parallelism

Wen, Zhaofang

In the search for ''good'' parallel programming environments for Sandia's current and future parallel architectures, they revisit a long-standing open question. Can the PRAM parallel algorithms designed by theoretical computer scientists over the last two decades be implemented efficiently? This open question has co-existed with ongoing efforts in the HPC community to develop practical parallel programming models that can simultaneously provide ease of use, expressiveness, performance, and scalability. Unfortunately, no single model has met all these competing requirements. Here they propose a parallel programming environment, PRAM C, to bridge the gap between theory and practice. This is an attempt to provide an affirmative answer to the PRAM question, and to satisfy these competing practical requirements. This environment consists of a new thin runtime layer and an ANSI C extension. The C extension has two control constructs and one additional data type concept, ''shared''. This C extension should enable easy translation from PRAM algorithms to real parallel programs, much like the translation from sequential algorithms to C programs. The thin runtime layer bundles fine-grained communication requests into coarse-grained communication to be served by message-passing. Although the PRAM represents SIMD-style fine-grained parallelism, a stand-alone PRAM C environment can support both fine-grained and coarse-grained parallel programming in either a MIMD or SPMD style, interoperate with existing MPI libraries, and use existing hardware. The PRAM C model can also be integrated easily with existing models. Unlike related efforts proposing innovative hardware with the goal to realize the PRAM, ours can be a pure software solution with the purpose to provide a practical programming environment for existing parallel machines; it also has the potential to perform well on future parallel architectures.

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Successful technical trading agents using genetic programming

Farnsworth, Grant V.; Kelly, John A.; Pryor, Richard J.

Genetic programming (GP) has proved to be a highly versatile and useful tool for identifying relationships in data for which a more precise theoretical construct is unavailable. In this project, we use a GP search to develop trading strategies for agent based economic models. These strategies use stock prices and technical indicators, such as the moving average convergence/divergence and various exponentially weighted moving averages, to generate buy and sell signals. We analyze the effect of complexity constraints on the strategies as well as the relative performance of various indicators. We also present innovations in the classical genetic programming algorithm that appear to improve convergence for this problem. Technical strategies developed by our GP algorithm can be used to control the behavior of agents in economic simulation packages, such as ASPEN-D, adding variety to the current market fundamentals approach. The exploitation of arbitrage opportunities by technical analysts may help increase the efficiency of the simulated stock market, as it does in the real world. By improving the behavior of simulated stock markets, we can better estimate the effects of shocks to the economy due to terrorism or natural disasters.

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Spin stabilized magnetic levitation of horizontal rotors

Romero, Louis

In this paper we present an analysis of a new configuration for achieving spin stabilized magnetic levitation. In the classical configuration, the rotor spins about a vertical axis; and the spin stabilizes the lateral instability of the top in the magnetic field. In this new configuration the rotor spins about a horizontal axis; and the spin stabilizes the axial instability of the top in the magnetic field.

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Results 11901–11950 of 12,511
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