Regensburg 2019 – scientific programme
Parts | Days | Selection | Search | Updates | Downloads | Help
MM: Fachverband Metall- und Materialphysik
MM 24: Topical session (Symposium MM): Correlative and in-situ Microscopy in Materials Research
MM 24.8: Talk
Wednesday, April 3, 2019, 12:45–13:00, H45
Experimentally-Informed Large-Scale Atomistic Simulations of Nanoporous Gold — •Zhuocheng Xie1, Julien Guénolé1, Aruna Prakash1, Thomas Przybilla2, Erdmann Spiecker2, and Erik Bitzek1 — 1Materials Science & Engineering, Institute I, Friedrich-Alexander-Universität Erlangen-Nürnberg, Martensstraße 5, 91058 Erlangen, Germany — 2Institute of Micro- and Nanostructure Research & Center for Nanoanalysis and Electron Microscopy (CENEM), Friedrich-Alexander-Universität Erlangen-Nürnberg, Cauerstraße 6, 91058 Erlangen, Germany
Nanoporous gold (NPG) is an ideal model system for the study of size effects at the nanoscale, since the ligament size can be precisely tailored within the nanometer to micrometer range. In this work, we study the deformation behavior of NPG using large-scale molecular dynamics simulations. We report on uniaxial compression tests using experimentally informed real-size atomistic samples, which are reconstructed from electron tomography datasets. By comparing the results of these simulations with simulations on geometrically constructed samples with average ligament size and porosity equal to the experimental samples, we study the influence of morphology and topology on the deformation behavior of NPG. The influence of surface-induced-stress on the critical resolved shear stress of NPG is evaluated by comparing the real-size samples and samples scaled-down by different factors. Additionally, the deformation mechanisms are studied in detail. The results provide qualitative insights in the fundamental deformation mechanisms not readily observable in in-situ mechanical tests.