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  • RPI SCOREC - Technical Reports
    world s leading supercomputer architectures are a hybrid of shared memory and network distributed memory Such an architecture lends itself to a hybrid MPI thread programming model We first present an implementation of inter thread message passing based on the MPI and pthread libraries In addition an efficient implementation of termination detection for communication rounds is presented called phased message passing This interface is then used to implement parallel operations

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=624 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    of mesh entities of multiple topologies in O 1 time and fully distributed to support relationships of mesh entities on across multiple memory spaces in a manner consistent with supporting massively paral lel simulation workflows PUMI s mesh maintains links to the high level model definition in terms of a model topology as produced by CAD systems and is specifically designed to efficiently support evolving meshes as required for mesh

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=625 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    by defects Here we report that the two dimensional elastic modulus of graphene is maintained even at a high density of sp3 type defects Moreover the breaking strength of defective graphene is only B14 smaller than its pristine counterpart in the sp3 defect regime By contrast we report a significant drop in the mechanical properties of graphene in the vacancy defect regime We also provide a mapping between the Raman

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=629 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    as well However in molecular crystals one encounters additional point defects associated with the distortion of the molecules A set of rotational defects are described in this article These are molecules which are located in the proper positions in the crystal but are rotated relative to the molecules in the perfect crystal and their ring is slightly puckered The energetic barriers for defect formation and for their annealing back to

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=634 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    Publisher Elsevier Ltd Abstract The effect of correlations of the spatial distribution of inclusions in a two phase composite is studied numerically in this work Microstructures with fractal distribution of inclusions characterized by long range power law correlations are compared with random inclusion distributions of same volume fraction The elastic plastic response of composites with stiff elastic inclusions and elastic plastic matrix is studied and it is concluded that fractal microstructures always lead to stiffer composites with higher strain hardening rates compared with the equivalent composites with randomly distributed inclusions Composites with filler distributions characterized by shorter range exponential correlations exhibit behavior intermediate between that of random and power law correlated microstructures Larger variability from replica to replica is observed in the fractal case The pressure in inclusions is larger in the case of fractal microstructures indicating that these are expected to be advantageous in applications such as toughening of thermoset polymers which takes place via the cavitation mechanism The effect of the spatial distribution of inclusions on the effective damping of the composite is also investigated The matrix is considered elastic and non dissipative while inclusions dissipate energy The composite with fractal microstructure provides more damping than the random

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=635 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    iteration this simplifies the solution of MDO problems by maintaining mod ularity of the discipline software Historically the MDO community has used conventional optimization algorithms to solve IDF formulated problems Conventional optimizers are not well suited to IDF because they use limited memory quasi Newton methods linear convergence and require the constraint Jacobian explicitly The cost of computing the coupling variable constraint Jacobian is prohibitively expensive for high fidelity IDF

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=636 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    the flexibility to create well controlled meshes and with respect to the ability to effectively represent the heterogeneous material regions of the imaged domain We will present an alternative approach that avoids disadvantages through the construction of a non manifold model representation This paper presents a set of automatic procedures for the construction of a non manifold model and mesh given a segmented image data set The process of creating

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=638 (2015-07-15)
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  • RPI SCOREC - Technical Reports
    consideration of time of execution and energy consumption for a given level of simulation accuracy Although the majority of the flops in mesh based analysis is consumed by the forming of matrix contributions and solving the global system the process of setting up and controlling the analysis model is substantial For example the common estimate in the case of mesh based methods on workstations is that 85 of the cost is involved with the generation and control of the spatial decomposition of the domain that constitutes the input mesh In the case of massively parallel simulations with meshes of millions to billions of elements this percentage can be higher due to the bottlenecks associated with the data transfer This clearly indicates that the meshing functions must be fully automated and execute on the same massively parallel computers as the meshbased analysis procedure In addition as the complexity of the simulations increase it is also becoming clear that the approximations associated in going from the given problem to the one numerically solved should be automatically controlled to ensure simulation reliability In most all cases a posteriori methods that iteratively execute analysis steps followed by model adaptation are required to provide the

    Original URL path: http://www.scorec.rpi.edu/reports/view_report.php?id=639 (2015-07-15)
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