Molecular dynamics simulation of amorphous SiO<inf>2</inf> fracture

Aaron Knoll; Joe Insley; Michael E. Papka; Ken Ichi Nomura; Rajiv K. Kalia; Aiichiro Nakano; Priya Vashishta

doi:10.1109/SC.Companion.2012.327

Molecular dynamics simulation of amorphous SiO<inf>2</inf> fracture

Aaron Knoll
, Joe Insley
, Michael E. Papka
, Ken Ichi Nomura
, Rajiv K. Kalia
, Aiichiro Nakano
, Priya Vashishta

Research output: Chapter in Book/Report/Conference proceeding › Conference contribution

Abstract

This video demonstrates output of a large scale molecular dynamics computation of 4.7 million atoms, simu- lating glass fracture over the course of over a nanosecond. Postprocessed data consists of 500 frames at 3 GB per frame. We generate approximate charge density volume data to highlight the overall structure. Rendering is performed using Nanovol, a volume raycasting tool for computational chemistry. © 2012 IEEE.

Original language	English
Title of host publication	Proceedings - 2012 SC Companion: High Performance Computing, Networking Storage and Analysis, SCC 2012
Pages	1569-1571
Number of pages	3
DOIs	https://doi.org/10.1109/SC.Companion.2012.327
State	Published - Dec 1 2012
Externally published	Yes

Access to Document

10.1109/SC.Companion.2012.327

Cite this

@inproceedings{d0ba35f548894f178fed68ae813d4226,

title = "Molecular dynamics simulation of amorphous SiO2 fracture",

abstract = "This video demonstrates output of a large scale molecular dynamics computation of 4.7 million atoms, simu- lating glass fracture over the course of over a nanosecond. Postprocessed data consists of 500 frames at 3 GB per frame. We generate approximate charge density volume data to highlight the overall structure. Rendering is performed using Nanovol, a volume raycasting tool for computational chemistry. {\textcopyright} 2012 IEEE.",

author = "Aaron Knoll and Joe Insley and Papka, \{Michael E.\} and Nomura, \{Ken Ichi\} and Kalia, \{Rajiv K.\} and Aiichiro Nakano and Priya Vashishta",

year = "2012",

month = dec,

day = "1",

doi = "10.1109/SC.Companion.2012.327",

language = "English",

isbn = "9780769549569",

pages = "1569--1571",

booktitle = "Proceedings - 2012 SC Companion: High Performance Computing, Networking Storage and Analysis, SCC 2012",

}

TY - GEN

T1 - Molecular dynamics simulation of amorphous SiO2 fracture

AU - Knoll, Aaron

AU - Insley, Joe

AU - Papka, Michael E.

AU - Nomura, Ken Ichi

AU - Kalia, Rajiv K.

AU - Nakano, Aiichiro

AU - Vashishta, Priya

PY - 2012/12/1

Y1 - 2012/12/1

N2 - This video demonstrates output of a large scale molecular dynamics computation of 4.7 million atoms, simu- lating glass fracture over the course of over a nanosecond. Postprocessed data consists of 500 frames at 3 GB per frame. We generate approximate charge density volume data to highlight the overall structure. Rendering is performed using Nanovol, a volume raycasting tool for computational chemistry. © 2012 IEEE.

AB - This video demonstrates output of a large scale molecular dynamics computation of 4.7 million atoms, simu- lating glass fracture over the course of over a nanosecond. Postprocessed data consists of 500 frames at 3 GB per frame. We generate approximate charge density volume data to highlight the overall structure. Rendering is performed using Nanovol, a volume raycasting tool for computational chemistry. © 2012 IEEE.

UR - https://www.scopus.com/pages/publications/84876522375

U2 - 10.1109/SC.Companion.2012.327

DO - 10.1109/SC.Companion.2012.327

M3 - Conference contribution

SN - 9780769549569

SP - 1569

EP - 1571

BT - Proceedings - 2012 SC Companion: High Performance Computing, Networking Storage and Analysis, SCC 2012

ER -

Molecular dynamics simulation of amorphous SiO<inf>2</inf> fracture

Abstract

Access to Document

Fingerprint

Cite this