Brittle and ductile fracture of semiconductor nanowires  molecular dynamics simulations Export

@article{citeulike:4568346, abstract = {Fracture of silicon and germanium nanowires in tension at room temperature is studied by molecular dynamics simulations using several interatomic potential models. While some potentials predict brittle fracture initiated by crack nucleation from the surface, most potentials predict ductile fracture initiated by dislocation nucleation and slip. A simple parameter based on the ratio between the ideal tensile strength and the ideal shear strength is found to correlate very well with the observed brittle versus ductile behaviours for all the potentials used in this study. This parameter is then computed by <i>ab initio</i> methods, which predict brittle fracture at room temperature. A brittle-to-ductile transition (BDT) is observed in MD simulations at higher temperature. The BDT mechanism in semiconductor nanowires is different from that in the bulk, due to the lack of a pre-existing macrocrack that is always assumed in bulk BDT models.}, author = {Kang, K. and Cai, W.}, citeulike-article-id = {4568346}, citeulike-linkout-0 = {http://dx.doi.org/10.1080/14786430701222739}, doi = {10.1080/14786430701222739}, journal = {Philosophical Magazine}, keywords = {pfm, si}, number = {14}, pages = {2169--2189}, posted-at = {2009-05-21 10:14:20}, priority = {0}, publisher = {Taylor \& Francis}, title = {Brittle and ductile fracture of semiconductor nanowires\&thinsp;–\&thinsp;molecular dynamics simulations}, url = {http://dx.doi.org/10.1080/14786430701222739}, volume = {87}, year = {2007} }

TY - JOUR ID - citeulike:4568346 L3 - citeulike-article-id:4568346 N2 - Fracture of silicon and germanium nanowires in tension at room temperature is studied by molecular dynamics simulations using several interatomic potential models. While some potentials predict brittle fracture initiated by crack nucleation from the surface, most potentials predict ductile fracture initiated by dislocation nucleation and slip. A simple parameter based on the ratio between the ideal tensile strength and the ideal shear strength is found to correlate very well with the observed brittle versus ductile behaviours for all the potentials used in this study. This parameter is then computed by <i>ab initio</i> methods, which predict brittle fracture at room temperature. A brittle-to-ductile transition (BDT) is observed in MD simulations at higher temperature. The BDT mechanism in semiconductor nanowires is different from that in the bulk, due to the lack of a pre-existing macrocrack that is always assumed in bulk BDT models. IS - 14 JF - Philosophical Magazine EP - 2189 TI - Brittle and ductile fracture of semiconductor nanowires&thinsp;–&thinsp;molecular dynamics simulations PB - Taylor & Francis VL - 87 SP - 2169 KW - pfm KW - si AU - Kang, K AU - Cai, W PY - 2007/// UR - http://dx.doi.org/10.1080/14786430701222739 ER -