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Efficient expression templates for operator overloading-based automatic differentiation

Lecture Notes in Computational Science and Engineering

Phipps, Eric T.; Pawlowski, Roger

Expression templates are a well-known set of techniques for improving the efficiency of operator overloading-based forward mode automatic differentiation schemes in the C++ programming language by translating the differentiation from individual operators to whole expressions. However standard expression template approaches result in a large amount of duplicate computation, particularly for large expression trees, degrading their performance. In this paper we describe several techniques for improving the efficiency of expression templates and their implementation in the automatic differentiation package Sacado (Phipps et al., Advances in automatic differentiation, Lecture notes in computational science and engineering, Springer, Berlin, 2008; Phipps and Gay, Sacado automatic differentiation package. http://trilinos.sandia.gov/packages/sacado/, 2011). We demonstrate their improved efficiency through test functions as well as their application to differentiation of a large-scale fluid dynamics simulation code. © 2012 Springer-Verlag.

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TYPE Conference YEAR 2012
OSTIScopus

Defect reaction network in C-doped GaAs: Numerical predictions

Schultz, Peter A.

This Report characterizes the defect reaction network in carbon doped, p-type GaAs deduced from first principles density functional theory. The reaction network is deduced by following exothermic defect reactions starting with the initially mobile interstitial defects reacting with common displacement damage defects in C-doped GaAs until culminating in immobile reaction products. The defect reactions and reaction energies are tabulated, along with the properties of all the carbon-related defects in the reaction network. This Report serves to extend the results for intrinsic defects in: P.A. Schultz and O.A. von Lilienfeld, “Simple intrinsic defects in GaAs”, Modelling Simul. Mater. Sci Eng., Vol. 17, 084007 (2009) and its numerical supplement in SAND 2012-2675, and the preliminary carbon defect network results in: P.A. Schultz, “First-principles defect chemistry for modeling irradiated GaAs and III-V semiconductors”, J. Rad. Effects, Res. and Eng. Vol. 30, p257 (2012).

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TYPE SAND Report YEAR 2012
DOIOSTI
Results 7001–7100 of 9,998
Results 7001–7100 of 9,998