Affiliation: | 1. Computational Materials Engineering (CME) , Institute for Minerals Engineering, Center for Computational Engineering Science, Jülich-Aachen Research Alliance, RWTH Aachen University , DE-52056 Aachen, Germany kundin@ghi.rwth-aachen.de;3. Computational Materials Engineering (CME) , Institute for Minerals Engineering, Center for Computational Engineering Science, Jülich-Aachen Research Alliance, RWTH Aachen University , DE-52056 Aachen, Germany;4. Department of Mathematical Sciences , University of Bath , Bath, BA2 7AY, United Kingdom |