Automating embedded analysis capabilities and managing software complexity in multiphysics simulation part I: template-based generic programming

An approach for incorporating embedded simulation and analysis capabilities in complex simulation codes through template-based generic programming is presented. This approach relies on templating and operator overloading within the C++ language to transform a given calculation into one that can compute a variety of additional quantities that are necessary for many state-of-the-art simulation and analysis algorithms. An approach for incorporating these ideas into complex simulation codes through general graph-based assembly is also presented. These ideas have been implemented within a set of packages in the Trilinos framework and are demonstrated on a simple problem from chemical engineering

Role-similarity based functional prediction in networked systems: Application to the yeast proteome

We propose a general method to predict functions of vertices where: 1. The wiring of the network is somehow related to the vertex functionality. 2. A fraction of the vertices are functionally classified. The method is influenced by role-similarity measures of social network analysis. The two versions of our prediction scheme is tested on model networks were the functions of the vertices are designed to match their network surroundings. We also apply these methods to the proteome of the yeast Saccharomyces cerevisiae and find the results compatible with more specialized methods

Can filamentary accretion explain the orbital poles of the Milky Way satellites?

Several scenarios have been suggested to explain the phase-space distribution of the Milky Way (MW) satellite galaxies in a disc of satellites (DoS). To quantitatively compare these different possibilities, a new method analysing angular momentum directions in modelled data is presented. It determines how likely it is to find sets of angular momenta as concentrated and as close to a polar orientation as is observed for the MW satellite orbital poles. The method can be easily applied to orbital pole data from different models. The observed distribution of satellite orbital poles is compared to published angular momentum directions of subhalos derived from six cosmological state-of-the-art simulations in the Aquarius project. This tests the possibility that filamentary accretion might be able to naturally explain the satellite orbits within the DoS. For the most likely alignment of main halo and MW disc spin, the probability to reproduce the MW satellite orbital pole properties turns out to be less than 0.5 per cent in Aquarius models. Even an isotropic distribution of angular momenta has a higher likelihood to produce the observed distribution. The two Via Lactea cosmological simulations give results similar to the Aquarius simulations. Comparing instead with numerical models of galaxy-interactions gives a probability of up to 90 per cent for some models to draw the observed distribution of orbital poles from the angular momenta of tidal debris. This indicates that the formation as tidal dwarf galaxies in a single encounter is a viable, if not the only, process to explain the phase-space distribution of the MW satellite galaxies.Comment: 14 pages, 4 figures, 3 tables. Accepted for publication in MNRA

On the Yang-Mills two-loop effective action with wordline methods

We derive the two-loop effective action for covariantly constant field strength of pure Yang-Mills theory in the presence of an infrared scale. The computation is done in the framework of the worldline formalism, based on a generalization procedure of constructing multiloop effective actions in terms of the bosonic worldline path integral. The two-loop beta-function is correctly reproduced. This is the first derivation in the worldline formulation, and serves as a nontrivial check on the consistency of the multiloop generalization procedure in the worldline formalism.Comment: 8 pages, 4 figure

Automating embedded analysis capabilities and managing software complexity in multiphysics simulation part II: application to partial differential equations

A template-based generic programming approach was presented in a previous paper that separates the development effort of programming a physical model from that of computing additional quantities, such as derivatives, needed for embedded analysis algorithms. In this paper, we describe the implementation details for using the template-based generic programming approach for simulation and analysis of partial differential equations (PDEs). We detail several of the hurdles that we have encountered, and some of the software infrastructure developed to overcome them. We end with a demonstration where we present shape optimization and uncertainty quantification results for a 3D PDE application