caa a22 4500 463225015 CHVBK 20180405153224.0 cr unu---uuuuu 170326e20070601xx s 000 0 eng 10.1007/s10853-007-1638-2 doi (NATIONALLICENCE)springer-10.1007/s10853-007-1638-2 Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica [Elektronische Daten] [Krishna Muralidharan, Ki-Dong Oh, P. Deymier, K. Runge, J. Simmons] We have examined the atomic dynamics of the brittle fracture process in amorphous silica using molecular dynamics. Under strain, extensive atomic restructuring occur in the vicinity of voids leading to the formation of 2-membered (2-M) silica rings that are much different than the open network structure of the bulk. The sequence of events that lead to the formation of the 2-M rings was characterized by examining the change in local coordination of atoms. Springer Science+Business Media, LLC, 2007 Muralidharan Krishna Department of Materials Science and Engineering, University of Arizona, Mines Building, 85721, Tucson, AZ, USA aut Oh Ki-Dong Department of Materials Science and Engineering, University of Arizona, Mines Building, 85721, Tucson, AZ, USA aut Deymier P. Department of Materials Science and Engineering, University of Arizona, Mines Building, 85721, Tucson, AZ, USA aut Runge K. Quantum Theory Project, University of Florida, New Physics Building, 32611, Gainesville, FL, USA aut Simmons J. Department of Materials Science and Engineering, University of Arizona, Mines Building, 85721, Tucson, AZ, USA aut Journal of Materials Science Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 42/12(2007-06-01), 4159-4169 0022-2461 42:12<4159 2007 42 10853 https://doi.org/10.1007/s10853-007-1638-2 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s10853-007-1638-2 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Muralidharan Krishna Department of Materials Science and Engineering, University of Arizona, Mines Building, 85721, Tucson, AZ, USA aut NATIONALLICENCE 700 1- Oh Ki-Dong Department of Materials Science and Engineering, University of Arizona, Mines Building, 85721, Tucson, AZ, USA aut NATIONALLICENCE 700 1- Deymier P. Department of Materials Science and Engineering, University of Arizona, Mines Building, 85721, Tucson, AZ, USA aut NATIONALLICENCE 700 1- Runge K. Quantum Theory Project, University of Florida, New Physics Building, 32611, Gainesville, FL, USA aut NATIONALLICENCE 700 1- Simmons J. Department of Materials Science and Engineering, University of Arizona, Mines Building, 85721, Tucson, AZ, USA aut NATIONALLICENCE 773 0- Journal of Materials Science Kluwer Academic Publishers-Plenum Publishers; http://www.springer-ny.com 42/12(2007-06-01), 4159-4169 0022-2461 42:12<4159 2007 42 10853 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer