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Stress response of 2D silica under quasi‐static tension
Author(s) -
Ebrahem Firaz,
Bamer Franz,
Markert Bernd
Publication year - 2019
Publication title -
pamm
Language(s) - English
Resource type - Journals
ISSN - 1617-7061
DOI - 10.1002/pamm.201900467
Subject(s) - deformation (meteorology) , materials science , ring (chemistry) , tension (geology) , fracture (geology) , ultimate tensile strength , composite material , stress (linguistics) , molecular dynamics , sample (material) , structural engineering , molecular physics , computational chemistry , chemistry , physics , thermodynamics , engineering , linguistics , philosophy , organic chemistry
We use classical molecular dynamics simulations to generate topologically different models of vitreous 2D silica, all of which are subjected to quasi‐static tensile loading until fracture occurs. We demonstrate the effects of structural disorder on the material behaviour of 2D silica. For each sample, we determine the network structure by identifying the relative count of single rings and so‐called ring triplets each of which composed of three adjacent rings that share a common corner. In each sample, we spatially detect the first local atomic‐scale rearrangement during deformation and correlate it to the ring triplet involved.