Online citations, reference lists, and bibliographies.
← Back to Search

Atomistic Prediction Of Plane Stress Behavior Of Glassy Thermosets

J. Moller, G. Kedziora, S. A. Barr, T. Breitzman, R. Berry
Published 2017 · Materials Science

Cite This
Download PDF
Analyze on Scholarcy
Share
Abstract When any covalent bond energy reached a threshold indicative of incipient bond scission, the simulation was stopped. This method was used to examine the responses of three highly-crosslinked epoxy systems. Systems were large enough to include 110 to 480 crosslink sites. Both elastic and yield properties show good agreement with the experiments of others. Continuum yield theories commonly applied to polymers are compared with the data. A Drucker-Prager pressure-dependent yield function applied best in the second and third quadrants of the σ1 σ2 domain. In the first quadrant, however, data more closely match a normal-stress-yielding criterion. In biaxial tension and simple tension, plastic behavior and large growth in nano-porosity were observed. Ductility was lowest in simple tension and biaxial compression. In simple tension, the bonds at crosslink sites and in ether linkages were the most highly strained whereas carbon-carbon backbone bonds between phenyl groups were highly strained in other cases. When system energy at imminent bond rupture was divided on a per-atom basis, consistency with Peterlin’s theory for molecular rupture was found.
This paper references
10.1016/J.COMPOSITESA.2012.02.015
Atomistic simulations on multilayer graphene reinforced epoxy composites
Chunyu Li (2012)
10.1002/POLC.5070320116
Chain scission and plastic deformation in the strained crystalline polymer
A. Peterlin (2007)
10.1007/BF01120049
The fracture process of ultra-high strength polyethylene fibres
J. Smook (1984)
10.1021/ACS.MACROMOL.5B01236
A Multiscale Model for the Quasi-Static Thermo-Plastic Behavior of Highly Cross-Linked Glassy Polymers
N. Vu-Bac (2015)
10.1038/NMAT918
Atomistic basis for the plastic yield criterion of metallic glass
C. Schuh (2003)
10.1016/0079-6700(89)90004-X
Mechanochemistry of polymers
J. Sohma (1989)
10.1007/S11837-012-0511-1
Simulation of Fracture Nucleation in Cross-Linked Polymer Networks
J. Moller (2013)
10.1002/ZAMM.19230030401
Über Einige Statisch Bestimmte Fälle Des Gleichgewichts In Plastischen Körpern
H. Hencky (1923)
10.1002/POL.1978.180160613
Cooperative model for the mechanical deformation of polymers
S. H. Joseph (1978)
10.1007/BF01130169
Microdeformation and network structure in epoxies
M. Glad (1991)
10.1007/BF02056388
Influence of structure of a crosslinked epoxy resin on its properties studied by positron annihilation and other methods
M. Dębowska (1996)
10.1007/S00707-010-0349-Y
A general inelastic internal state variable model for amorphous glassy polymers
J. Bouvard (2010)
10.1080/14786437308220987
A theory for the low-temperature plastic deformation of glassy polymers
A. Argon (1973)
10.1016/0032-3861(82)90403-7
Free radicals and new end groups resulting from chain scission: 2. Mechanical degradation of polyethylene
B. Fanconi (1982)
10.1016/S0032-3861(97)10334-2
Yielding behaviour in model epoxy thermosets — I. Effect of strain rate and composition
Anthony E Mayr (1998)
10.1021/MA00130A018
Free-Volume Hole Properties in Thermosetting Plastics Probed by Positron Annihilation Spectroscopy: Chain Extension Chemistry
Y. C. Jean (1995)
10.1016/J.IJPLAS.2013.01.004
Molecular dynamics simulations of compressive yielding in cross-linked epoxies in the context of Argon theory
V. Sundararaghavan (2013)
10.1016/S0266-3538(96)00090-5
A criterion for crack initiation in glassy polymers subjected to a composite-like stress state
L. Asp (1996)
10.1016/J.POLYMER.2005.07.020
On the free volume evolution in a deformed epoxy composite. A positron annihilation study
S. Goyanes (2005)
10.1007/BF00549685
Review: The yield behaviour of polymers
I. Ward (1971)
10.1007/BF00550671
The macroscopic yield behaviour of polymers
R. S. Raghava (1973)
10.1002/PEN.760270113
Volume change and the nonlinearly thermo‐viscoelastic constitution of polymers
W. Knauss (1987)
10.1002/POL.1970.160080606
Yield condition and propagation of Lüders' lines in tension–torsion experiments on poly(vinyl chloride)
J. Bauwens (1970)
10.1016/J.POLYMER.2012.07.026
Molecular dynamics simulations and experimental studies of the thermomechanical response of an epoxy thermoset polymer
Chunyu Li (2012)
Mechanik der festen Körper im plastisch- deformablen Zustand
R. V. Mises (1913)
10.1002/PEN.760130105
Effect of rubber particle size on deformation mechanisms in glassy epoxy
J. Sultan (1973)
10.1002/PROT.340040106
Structure and energetics of ligand binding to proteins: Escherichia coli dihydrofolate reductase‐trimethoprim, a drug‐receptor system
P. Dauber-Osguthorpe (1988)
10.1002/POL.1972.160100808
Mechanism of submicrocrack generation in stressed polymers
S. N. Zhurkov (1972)
10.1007/S002890050505
Rheo-optical fourier transform infrared spectroscopy of diol-modified diglycidyl ether of bisphenol-A epoxy resins
T. Scherzer (1999)
10.1063/1.3245303
General formulation of pressure and stress tensor for arbitrary many-body interaction potentials under periodic boundary conditions.
A. Thompson (2009)
10.1016/J.POLYMER.2003.07.011
Molecular response of a glassy polymer to active deformation
F. Capaldi (2004)
10.1002/PEN.760170306
Plastic flow in glassy polymers
A. Argon (1977)
10.1007/BF01984606
Über Spannungsrelaxation und zeitabhängige elastische Bruchvorgänge in orientierten Fasern
H. H. Kausch-Blecken von Schmeling (1970)
10.1021/MA062139L
Molecular dynamics simulations of polymer networks undergoing sequential cross-linking and scission reactions
Dana R. Rottach (2007)
10.1007/BF02387527
The elastic constants of some epoxy resins
A. Smith (1974)
10.1021/bk-1984-0243.ch010
Structure and fracture of highly cross-linked networks
J. Lemay (1984)
10.1002/jcc.23970
The effect of time step, thermostat, and strain rate on ReaxFF simulations of mechanical failure in diamond, graphene, and carbon nanotube
B. D. Jensen (2015)
10.1023/A:1018693028394
Deformation and yield of epoxy networks in constrained states of stress
R. S. Kody (1997)
10.1002/APP.1976.070200808
Nodular structure in epoxy resins
James L. Racich (1976)
10.1088/0965-0393/17/1/015002
Modeling of graphene?polymer interfacial mechanical behavior using molecular dynamics
A. Awasthi (2009)
10.1090/QAM/48291
Soil mechanics and plastic analysis or limit design
D. C. Drucker (1952)
10.1080/14786437408213560
A molecular model for yield and flow in amorphous glassy polymers making use of a dislocation analogue
P. Bowden (1974)
10.1006/JCPH.1995.1039
Fast parallel algorithms for short-range molecular dynamics
S. Plimpton (1993)
10.1016/J.SCRIPTAMAT.2013.09.017
Computational formulation of a new composite matrix
S. Christensen (2014)
10.1007/BF00549550
The plastic flow of isotropic polymers
P. Bowden (1972)
10.1002/PSSC.200675749
PALS study of epoxy matrices: self‐assembly of block copolymers and its capability for nanostructuring thermosetting systems
J. Ramos (2007)
10.1007/S10409-005-0019-9
The dynamical complexity of work-hardening: a large-scale molecular dynamics simulation
M. Buehler (2005)
10.2514/6.2001-1184
STRAIN INVARIANT FAILURE CRITERIA FOR POLYMERS IN COMPOSITE MATERIALS
J. Gosse (2001)
10.1063/1.1538597
Pressure and temperature dependence of structural relaxation in diglycidylether of bisphenol A
M. Paluch (2003)
10.1016/J.POLYMER.2010.10.009
Molecular dynamics simulations of deformation mechanisms of amorphous polyethylene
D. Hossain (2010)
10.1061/(ASCE)0893-1321(2008)21:3(162)
Measurement of Epoxy Resin Tension, Compression, and Shear Stress–Strain Curves over a Wide Range of Strain Rates Using Small Test Specimens
Justin D. Littell (2008)
10.1016/J.MSEA.2006.10.054
Molecular dynamics study of the stress–strain behavior of carbon-nanotube reinforced Epon 862 composites
R. Zhu (2007)
10.1002/(SICI)1099-0488(199602)34:3<459::AID-POLB6>3.0.CO;2-O
Characterization of the molecular deformation behavior of glassy epoxy resins by rheo-optical FTIR spectroscopy
T. Scherzer (1996)
10.1063/1.1726558
Theory for the Plasticity of Glassy Polymers
R. Robertson (1966)
10.1007/BF01761117
Study of stress-induced changes in poly(ethylene terephthalate) through Fourier transform infrared spectroscopy
S. Sikka (1979)
10.1002/(SICI)1097-4628(19970919)65:12<2433::AID-APP15>3.0.CO;2-1
Polyetherimide-modified epoxy networks: Influence of cure conditions on morphology and mechanical properties
E. Girard-Reydet (1997)
Yield criteria for plastic deformation on glassy high polymers in general stress fields
L. Ongchin (1969)
10.1016/J.CPLETT.2013.11.036
Predicting mechanical response of crosslinked epoxy using ReaxFF
G. Odegard (2014)
10.1007/BF01130180
Crosslink density and fracture toughness of epoxy resins
G. Levita (1991)
10.1098/rspa.1953.0102
The effect of cross-linking on the elastic modulus of Polythene
A. Charlesby (1953)
10.1103/PHYSREVE.73.031803
Free volume of an epoxy resin and its relation to structural relaxation: evidence from positron lifetime and pressure-volume-temperature experiments.
G. Dlubek (2006)
10.1103/PHYSREVB.85.024114
Energy-based yield criterion for PMMA from large-scale molecular dynamics simulations
E. Jaramillo (2012)
10.1016/J.POLYMER.2008.04.018
Experimental characterisation and constitutive modelling of RTM-6 resin under impact loading
R. Gerlach (2008)
Effect of segmental molecular mass between crosslinks of the matrix phase on the toughness of rubber-modified epoxies
A. J. Kinloch (1987)
10.1063/1.331814
Chain scission and mechanical failure of polyethylene
B. Fanconi (1983)
10.1016/0020-7683(95)00105-0
On the large deformation and localization behavior of an epoxy resin under multiaxial stress states
Y. Liang (1996)
10.1002/POLB.1993.090310207
An investigation of the yield and postyield behavior and corresponding structure of poly(methyl methacrylate)
O. Hasan (1993)
10.1080/00222347308201637
Physical basis of distortional and dilational plastic flow in glassy polymers
A. S. Argon (1973)
10.1016/J.COMMATSCI.2006.06.011
MOLECULAR DYNAMICS SIMULATIONS OF THE ELASTIC PROPERTIES OF POLYMER/CARBON NANOTUBE COMPOSITES
Y. Han (2007)
10.1021/MA00008A056
Molecular dynamics simulation of an amorphous polymer under tension. 1. Phenomenology
D. Brown (1991)
10.1016/J.POLYMER.2012.12.007
Molecular dynamics simulations on cyclic deformation of an epoxy thermoset
Chunyu Li (2013)
10.1007/S11340-006-9013-9
Cure-dependent Viscoelastic Poisson’s Ratio of Epoxy
D. J. O'Brien (2007)



This paper is referenced by
Semantic Scholar Logo Some data provided by SemanticScholar