TY - JOUR
T1 - Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica
AU - Muralidharan, Krishna
AU - Oh, Ki Dong
AU - Deymier, P. A.
AU - Runge, K.
AU - Simmons, J. H.
N1 - Funding Information:
Acknowledgement This work was supported by the U.S. National Science Foundation under ITR award DMR-0325553.
PY - 2007/6
Y1 - 2007/6
N2 - 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.
AB - 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.
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U2 - 10.1007/s10853-007-1638-2
DO - 10.1007/s10853-007-1638-2
M3 - Article
AN - SCOPUS:34547271897
SN - 0022-2461
VL - 42
SP - 4159
EP - 4169
JO - Journal of Materials Science
JF - Journal of Materials Science
IS - 12
ER -