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Civil-Comp Proceedings
ISSN 1759-3433
CCP: 111
PROCEEDINGS OF THE FIFTH INTERNATIONAL CONFERENCE ON PARALLEL, DISTRIBUTED, GRID AND CLOUD COMPUTING FOR ENGINEERING
Edited by: P. Iványi, B.H.V. Topping and G. Várady
Paper 40

Fortran coarray/MPIMulti-Scale CAFE for Fracture in Heterogeneous Materials

A. Shterenlikht1, L. Margetts2 and L. Cebamanos3

1Department of Mechanical Engineering, University of Bristol, United Kingdom
2School of Mechanical, Aero and Civil Engineering, University of Manchester, United Kingdom
3Edinburgh Parallel Computing Centre (EPCC), University of Edinburgh, United Kingdom

Full Bibliographic Reference for this paper
A. Shterenlikht, L. Margetts, L. Cebamanos, "Fortran coarray/MPIMulti-Scale CAFE for Fracture in Heterogeneous Materials", in P. Iványi, B.H.V. Topping, G. Várady, (Editors), "Proceedings of the Fifth International Conference on Parallel, Distributed, Grid and Cloud Computing for Engineering", Civil-Comp Press, Stirlingshire, UK, Paper 40, 2017. doi:10.4203/ccp.111.40
Keywords: fracture mechanics, heterogeneous materials, multi-scale, Fortran coarrays, MPI, scaling, profiling.

Summary
All real materials are heterogeneous, e.g. polycrystalline metal alloys, reinforced concrete, carbon fibre reinforced polymer (CFRP), wood, nuclear graphite or bone. Modelling of such materials involves concurrent simulation of multiple interacting and competing physical processes, acting at different length and time scales, e.g. dislocation flow, ply debonding or separation of atomic layers. In this work we demonstrate a multi-scale fracture framework where cellular automata (CA) represents material evolution, deformation and fracture at micro- or nano-scales and finite elements (FE) are used at structural scales. Fortran coarrays offer simple and intuitive data structures for 3D CA modelling of material microstructures. Design of a coarray cellular automata microstructure evolution library CGPACK is described. Simulations of solidification, recrystallisation and grain coarsening, and fracture can be performed at arbitrary length and time scales with CGPACK. We show how coarrays can be used together with an MPI FE library to create a two-way concurrent hierarchical and scalable multi-scale CAFE deformation and fracture framework. Strong scaling of a hybrid ParaFEM/CGPACK MPI/coarray multi-scale framework was measured on Cray for a simulation of a fracture of a steel round bar under tension. The program scales up to 7,000 cores.

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