Molecular modeling of deformation and fracture of polymer networks (original) (raw)

Simulation of Fracture Nucleation in Cross-Linked Polymer Networks

James Moller

JOM, 2012

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Molecular deformation mechanisms and mechanical properties of polymers simulated by molecular dynamics

Witold Brostow

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Polymer fracture—A simple model for chain scission

Jens Oddershede

Journal of Polymer Science: Polymer Physics Edition, 1984

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Simulation of polymer fracture using a crosslinked model with multi-chain elements. Homogeneous model

Anatoliy Dobrodumov

Polymer Science U.S.S.R., 1980

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Effects of temperature and strain rate on the deformation of amorphous polyethylene: a comparison between molecular dynamics simulations and experimental results

Iwan Sahputra

Modelling and Simulation in Materials Science and Engineering, 2013

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Molecular modelling of the elastic behaviour of poly(ethylene terephthalate) network chains

Jonathan Cail

Polymer, 2003

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Molecular-dynamics simulation of influence of loading rate and defects on crack growth

Ibnelwaleed Hussein

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Strain softening and hardening of amorphous polymers: Atomistic simulation of bulk mechanics and local dynamics

N. Balabaev, Mikhail Mazo

Europhysics Letters (EPL), 2005

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Monte Carlo Simulation of Uniaxial Deformation of Polyethylene-Like Polymer Glass: Role of Constraints and Deformation Protocol

Alexey Lyulin

Macromolecular Theory and Simulations, 2007

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Atomistic Simulation of Energetic and Entropic Elasticity in Short-chain Polyethylenes

Vlasis Mavrantzas

Journal of Rheology, 2008

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Simulation of small-strain deformations of semi-crystalline polymer: Coupling of structural transformations with stress-strain response

yves remond

Journal of Materials Science, 2000

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Looking for the simplicity in polymer networks – Structure changes and comparative analysis of theoretical approaches to deformation of semi-crystalline polymers

Klaas Remerie, Rudy Deblieck

Polymer, 2018

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Influence of ensemble boundary conditions (thermostat and barostat) on the deformation of amorphous polyethylene by molecular dynamics

Mark Horstemeyer

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Toward the constitutive modeling of epoxy matrix: Temperature-accelerated quasi-static molecular simulations consistent with the experimental test

Seunghwa Yang

Composites Part B-engineering, 2018

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Segmental dynamics in polyethylene melts through atomistic molecular dynamics simulations

Vagelis Harmandaris

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The tensile and shear failure behavior dependence on chain length and temperature in amorphous polymers

Timon Rabczuk

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7 Segmental dynamics in polyethylene melts through atomistic molecular dynamics simulations

Vlasis Mavrantzas

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Thermomechanical properties dependence on chain length in bulk polyethylene: Coarse-grained molecular dynamics simulations

Shijo Nagao

Journal of Materials Research, 2010

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Predicting the mechanical behavior of amorphous polymeric materials under strain through multi-scale simulation

Mohsen Mirkhalaf

Applied Surface Science, 2014

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Thermal Fracture Kinetics of Heterogeneous Semiflexible Polymers

Elena Koslover

2019

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Molecular dynamics simulations of the structure and dynamics of confined polymer melts

Ioannis Bitsanis

The Journal of Chemical Physics, 1990

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Molecular dynamics simulation of deformation behavior in amorphous polymer: nucleation of chain entanglements and network structure under uniaxial tension

Akihiro Nakatani

International Journal of Mechanical Sciences, 2003

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Computer simulations of true stress development and viscoelastic behavior in amorphous polymeric materials

Witold Brostow

Computational materials science, 2006

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Advanced Monte Carlo Algorithm for the Atomistic Simulation of Short- and Long-Chain Branched Polymers: Implementation for Model H-Shaped, A 3 A A 3 Multiarm (Pom-Pom), and Short-Chain Branched Polyethylene Melts

Vlasis Mavrantzas

Macromolecules, 2010

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Extended ensemble molecular dynamics method for constant strain rate uniaxial deformation of polymer systems

Albert Yee

The Journal of Chemical Physics, 1997

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All-atomic and coarse-grained molecular dynamics investigation of deformation in semi-crystalline lamellar polyethylene

Elin Persson Jutemar

Polymer, 2018

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Molecular-dynamics simulation of amorphous polymers in the isotropic state and under uniaxial deformation

Alexey Lyulin

2004

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Contribution to the Study of Fracture in Amorphous Polymers: Experiments and Modeling

Anthony De Castro

2011

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Damage mechanisms in the dynamic fracture of nominally brittle polymers

Daniel Bonamy

International Journal of Fracture, 2013

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Molecular dynamics simulations of uniaxial deformation of thermoplastic polyimides

Alexey Lyulin

Soft Matter, 2016

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Disorder effects on the strain response of model polymer networks

Ralf Everaers

Polymer, 2005

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