Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica

Krishna Muralidharan; Ki Dong Oh; P. A. Deymier; K. Runge; J. H. Simmons

doi:10.1007/s10853-007-1638-2

Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica

Krishna Muralidharan, Ki Dong Oh, P. A. Deymier, K. Runge, J. H. Simmons

Materials Science and Engineering

Research output: Contribution to journal › Article › peer-review

22 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	4159-4169
Number of pages	11
Journal	Journal of Materials Science
Volume	42
Issue number	12
DOIs	https://doi.org/10.1007/s10853-007-1638-2
State	Published - Jun 1 2007

ASJC Scopus subject areas

Materials Science(all)
Mechanics of Materials
Mechanical Engineering

Access to Document

10.1007/s10853-007-1638-2

Fingerprint Dive into the research topics of 'Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica'. Together they form a unique fingerprint.

Cite this

@article{feeca9fa31104fde8ced1fa989427496,

title = "Molecular dynamics simulations of atomic-level brittle fracture mechanisms in amorphous silica",

abstract = "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.",

author = "Krishna Muralidharan and Oh, {Ki Dong} and Deymier, {P. A.} and K. Runge and Simmons, {J. H.}",

year = "2007",

month = jun,

day = "1",

doi = "10.1007/s10853-007-1638-2",

language = "English (US)",

volume = "42",

pages = "4159--4169",

journal = "Journal of Materials Science",

issn = "0022-2461",

publisher = "Springer Netherlands",

number = "12",

}

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.

PY - 2007/6/1

Y1 - 2007/6/1

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.

UR - http://www.scopus.com/inward/record.url?scp=34547271897&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=34547271897&partnerID=8YFLogxK

U2 - 10.1007/s10853-007-1638-2

DO - 10.1007/s10853-007-1638-2

M3 - Article

AN - SCOPUS:34547271897

VL - 42

SP - 4159

EP - 4169

JO - Journal of Materials Science

JF - Journal of Materials Science

SN - 0022-2461

IS - 12

ER -