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Title: Molecular dynamics simulations of ordering of polydimethylsiloxane under uniaxial extension

Abstract

Molecular dynamics simulations of a bulk melts of polydimethylsiloxane (PDMS) are utilized to study chain conformation and ordering under constant uniaxial tension. We find that large extensions induce chain ordering in the direction of applied tension. We also find that voids are created via a cavitation mechanism. This study represents a validation of the current model for PDMS and benchmark for the future study of mechanical properties of PDMS melts enriched with fillers under tension.

Authors:
;
Publication Date:
Research Org.:
Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
15015932
Report Number(s):
UCRL-CONF-210588
TRN: US200509%%445
DOE Contract Number:  
W-7405-ENG-48
Resource Type:
Conference
Resource Relation:
Conference: Presented at: 26th Compatibility, Aging, and Stockpile Stewardship Conference, Aiken, SC (US), 04/26/2005--04/28/2005; Other Information: PBD: 11 Mar 2005
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS; 37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; AGING; BENCHMARKS; CAVITATION; COMPATIBILITY; FILLERS; MECHANICAL PROPERTIES; STOCKPILES; VALIDATION

Citation Formats

Lacevic, N M, and Gee, R H. Molecular dynamics simulations of ordering of polydimethylsiloxane under uniaxial extension. United States: N. p., 2005. Web.
Lacevic, N M, & Gee, R H. Molecular dynamics simulations of ordering of polydimethylsiloxane under uniaxial extension. United States.
Lacevic, N M, and Gee, R H. 2005. "Molecular dynamics simulations of ordering of polydimethylsiloxane under uniaxial extension". United States. https://www.osti.gov/servlets/purl/15015932.
@article{osti_15015932,
title = {Molecular dynamics simulations of ordering of polydimethylsiloxane under uniaxial extension},
author = {Lacevic, N M and Gee, R H},
abstractNote = {Molecular dynamics simulations of a bulk melts of polydimethylsiloxane (PDMS) are utilized to study chain conformation and ordering under constant uniaxial tension. We find that large extensions induce chain ordering in the direction of applied tension. We also find that voids are created via a cavitation mechanism. This study represents a validation of the current model for PDMS and benchmark for the future study of mechanical properties of PDMS melts enriched with fillers under tension.},
doi = {},
url = {https://www.osti.gov/biblio/15015932}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Mar 11 00:00:00 EST 2005},
month = {Fri Mar 11 00:00:00 EST 2005}
}

Conference:
Other availability
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