skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Simulation of interfacial fracture in highly crosslinked adhesives

Abstract

The fracture of highly-crosslinked networks is investigated by molecular dynamics simulations. The network is modeled as a bead-spring polymer network between two solid surfaces. The network is dynamically formed by crosslinking an equilibrated liquid mixture. Tensile pull fracture is simulated as a function of the number of interracial bonds. The sequence of molecular structural deformations that lead to failure are determined, and the connectivity is found to strongly control the stress-strain response and failure modes. The failure strain is related to the minimal paths in the network that connect the two solid surfaces. The failure stress is a fraction of the ideal stress required to fracture all the interracial bonds, and is linearly proportional to the number of interracial bonds. By allowing only a single bond between a crosslinker and the surface, interracial failure always occurs. Allowing up to half of the crosslinker's bonds to occur with the surface, cohesive failure can occur.

Authors:
Publication Date:
Research Org.:
Sandia National Labs., Albuquerque, NM (US); Sandia National Labs., Livermore, CA (US)
Sponsoring Org.:
US Department of Energy (US)
OSTI Identifier:
756123
Report Number(s):
SAND2000-1277C
TRN: AH200021%%139
DOE Contract Number:  
AC04-94AL85000
Resource Type:
Conference
Resource Relation:
Conference: Materials Research Society, San Francisco, CA (US), 04/24/2000--04/28/2000; Other Information: PBD: 22 May 2000
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ADHESIVES; FRACTURE PROPERTIES; MOLECULAR DYNAMICS METHOD; CROSS-LINKING; MATHEMATICAL MODELS; STRESS ANALYSIS; INTERFACES

Citation Formats

STEVENS,MARK J. Simulation of interfacial fracture in highly crosslinked adhesives. United States: N. p., 2000. Web.
STEVENS,MARK J. Simulation of interfacial fracture in highly crosslinked adhesives. United States.
STEVENS,MARK J. Mon . "Simulation of interfacial fracture in highly crosslinked adhesives". United States. https://www.osti.gov/servlets/purl/756123.
@article{osti_756123,
title = {Simulation of interfacial fracture in highly crosslinked adhesives},
author = {STEVENS,MARK J.},
abstractNote = {The fracture of highly-crosslinked networks is investigated by molecular dynamics simulations. The network is modeled as a bead-spring polymer network between two solid surfaces. The network is dynamically formed by crosslinking an equilibrated liquid mixture. Tensile pull fracture is simulated as a function of the number of interracial bonds. The sequence of molecular structural deformations that lead to failure are determined, and the connectivity is found to strongly control the stress-strain response and failure modes. The failure strain is related to the minimal paths in the network that connect the two solid surfaces. The failure stress is a fraction of the ideal stress required to fracture all the interracial bonds, and is linearly proportional to the number of interracial bonds. By allowing only a single bond between a crosslinker and the surface, interracial failure always occurs. Allowing up to half of the crosslinker's bonds to occur with the surface, cohesive failure can occur.},
doi = {},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2000},
month = {5}
}

Conference:
Other availability
Please see Document Availability for additional information on obtaining the full-text document. Library patrons may search WorldCat to identify libraries that hold this conference proceeding.

Save / Share: