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

Chaste: a test-driven approach to software development for biological modelling

Chaste (‘Cancer, heart and soft-tissue environment’) is a software library and a set of test suites for computational simulations in the domain of biology. Current functionality has arisen from modelling in the fields of cancer, cardiac physiology and soft-tissue mechanics. It is released under the LGPL 2.1 licence.\ud \ud Chaste has been developed using agile programming methods. The project began in 2005 when it was reasoned that the modelling of a variety of physiological phenomena required both a generic mathematical modelling framework, and a generic computational/simulation framework. The Chaste project evolved from the Integrative Biology (IB) e-Science Project, an inter-institutional project aimed at developing a suitable IT infrastructure to support physiome-level computational modelling, with a primary focus on cardiac and cancer modelling

Microsegregation and inclusion development during the casting of steel

The enrichment of composition in the residual liquid during solidification is of itself an important parameter regarding the fitness for purpose of the alloy and, furthermore, will have a major influence on the precipitates and oxide inclusions that can nucleate and/or grow in the mushy zone. Corus sought a relatively simple, rapid model for this microsegregation and its associated inclusion type and size, for predictions across the thickness of continuously cast steels, suitable for use in conjunction with macro-models but demonstrably superior to the use of analytical equations. Notably, the analytical equations employ constant temperature equilibrium and diffusivity data for a process that can cover a very wide temperature range, and the assumed growth laws coupled with these data have an implied thermal history at odds with the environment of the macroscopic model within which the algorithm is to be used. The development and use of this model are described, along with its validation against a proven but time-consuming Finite Difference program for this purpose