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Slip-Spring Model for the Linear and Nonlinear Viscoelastic Properties of Molten Polyethylene Derived from Atomistic Simulations

Macromolecules, 2017-06, Vol.50 (11), p.4524-4541

2017

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Effect of Surface Nanopatterning on Slip: The Case of Couette Flow of Long-Chain Polyethylene Melt Flowing Past Gold Surfaces

The journal of physical chemistry. B, 2021-06, Vol.125 (24), p.6681-6696

2021

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Multiscale simulations of PS-SiO2 nanocomposites: from melt to glassy state

Soft matter, 2016-09, Vol.12 (36), p.7585-765

2016

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Crossover from the Rouse to the Entangled Polymer Melt Regime: Signals from Long, Detailed Atomistic Molecular Dynamics Simulations, Supported by Rheological Experiments

Macromolecules, 2003-02, Vol.36 (4), p.1376-1387

2003

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Self-Consistent Field Theory Coupled with Square Gradient Theory of Free Surfaces of Molten Polymers and Compared to Atomistic Simulations and Experiment

Macromolecules, 2019-07, Vol.52 (14), p.5337-5356

2019

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Atomistic simulations of long-chain polyethylene melts flowing past gold surfaces: structure and wall-slip

Molecular physics, 2020-06, Vol.118 (9-10), p.e1706775

2020

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Molecular Simulations of Free and Graphite Capped Polyethylene Films: Estimation of the Interfacial Free Energies

Macromolecules, 2017-11, Vol.50 (21), p.8827-8844

2017

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Multiscale Simulations of Graphite-Capped Polyethylene Melts: Brownian Dynamics/Kinetic Monte Carlo Compared to Atomistic Calculations and Experiment

Macromolecules, 2019-10, Vol.52 (19), p.7503-7523

2019

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Mesoscopic Simulations of Free Surfaces of Molten Polyethylene: Brownian Dynamics/Kinetic Monte Carlo Coupled with Square Gradient Theory and Compared to Atomistic Calculations and Experiment

Macromolecules, 2018-12, Vol.51 (23), p.9798-9815

2018

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Molecular Dynamics Study of Polyethylene under Extreme Confinement

Journal of physics. Conference series, 2016-08, Vol.738 (1), p.12012

2016

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Onset of Entanglements Revisited. Dynamical Analysis

Macromolecules, 2009-10, Vol.42 (19), p.7485-7494

2009

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Onset of Entanglements Revisited. Topological Analysis

Macromolecules, 2009-10, Vol.42 (19), p.7474-7484

2009

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Atomistic Monte Carlo Simulation of Polybutadiene Isomers: cis-1,4-Polybutadiene and 1,2-Polybutadiene

Macromolecules, 2003-09, Vol.36 (18), p.6925-6938

2003

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Atomistic and Coarse-grained Simulations of Hexabenzocoronene Crystals

Journal of physics. Conference series, 2016-08, Vol.738 (1), p.12019

2016

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Atomistic Monte Carlo simulation of cis -1,4 polyisoprene melts. II. Parallel tempering end-bridging Monte Carlo simulations

The Journal of chemical physics, 2001-12, Vol.115 (24), p.11352-11361

2001

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Molecular modeling and simulation of atactic polystyrene amorphous silica nanocomposites

Journal of physics. Conference series, 2016-08, Vol.738 (1), p.12021

2016

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Atomistic molecular dynamics simulation of diffusion in binary liquid n -alkane mixtures

The Journal of chemical physics, 2002-05, Vol.116 (17), p.7656-7665

2002

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Diffusion of Long n-Alkanes in Silicalite. A Comparison between Neutron Scattering Experiments and Hierarchical Simulation Results

The journal of physical chemistry. B, 2006-02, Vol.110 (5), p.1964-1967

2006

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A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses

Molecular physics, 1993-03, Vol.78 (4), p.961-996

1993

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End-Bridging Monte Carlo: A Fast Algorithm for Atomistic Simulation of Condensed Phases of Long Polymer Chains

Macromolecules, 1999-07, Vol.32 (15), p.5072-5096

1999

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Mushrooms and Brushes in Thin Films of Diblock Copolymer/Homopolymer Mixtures

Macromolecules, 2002-01, Vol.35 (3), p.1116-1132

2002

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Monte Carlo simulations of equilibrium solubilities and structure of water in n -alkanes and polyethylene

The Journal of chemical physics, 2007-06, Vol.126 (22), p.224902-224902-7

2007

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Component segmental mobilities in an athermal polymer blend: Quasielastic incoherent neutron scattering versus simulation

The Journal of chemical physics, 2000-05, Vol.112 (19), p.8687-8694

2000

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Atomic structure of a high polymer melt

Europhysics letters, 2002-02, Vol.57 (4), p.506-511

2002

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Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites

Microporous and mesoporous materials, 2007-05, Vol.102 (1), p.21-50

2007

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Slip-Spring Model for the Linear and Nonlinear Viscoelastic Properties of Molten Polyethylene Derived from Atomistic Simulations

Effect of Surface Nanopatterning on Slip: The Case of Couette Flow of Long-Chain Polyethylene Melt Flowing Past Gold Surfaces

Multiscale simulations of PS-SiO2 nanocomposites: from melt to glassy state

Crossover from the Rouse to the Entangled Polymer Melt Regime: Signals from Long, Detailed Atomistic Molecular Dynamics Simulations, Supported by Rheological Experiments

Self-Consistent Field Theory Coupled with Square Gradient Theory of Free Surfaces of Molten Polymers and Compared to Atomistic Simulations and Experiment

Atomistic simulations of long-chain polyethylene melts flowing past gold surfaces: structure and wall-slip

Molecular Simulations of Free and Graphite Capped Polyethylene Films: Estimation of the Interfacial Free Energies

Multiscale Simulations of Graphite-Capped Polyethylene Melts: Brownian Dynamics/Kinetic Monte Carlo Compared to Atomistic Calculations and Experiment

Mesoscopic Simulations of Free Surfaces of Molten Polyethylene: Brownian Dynamics/Kinetic Monte Carlo Coupled with Square Gradient Theory and Compared to Atomistic Calculations and Experiment

Molecular Dynamics Study of Polyethylene under Extreme Confinement

Onset of Entanglements Revisited. Dynamical Analysis

Onset of Entanglements Revisited. Topological Analysis

Atomistic Monte Carlo Simulation of Polybutadiene Isomers: cis-1,4-Polybutadiene and 1,2-Polybutadiene

Atomistic and Coarse-grained Simulations of Hexabenzocoronene Crystals

Atomistic Monte Carlo simulation of cis -1,4 polyisoprene melts. II. Parallel tempering end-bridging Monte Carlo simulations

Molecular modeling and simulation of atactic polystyrene amorphous silica nanocomposites

Atomistic molecular dynamics simulation of diffusion in binary liquid n -alkane mixtures

Diffusion of Long n-Alkanes in Silicalite. A Comparison between Neutron Scattering Experiments and Hierarchical Simulation Results

A concerted rotation algorithm for atomistic Monte Carlo simulation of polymer melts and glasses

End-Bridging Monte Carlo: A Fast Algorithm for Atomistic Simulation of Condensed Phases of Long Polymer Chains

Mushrooms and Brushes in Thin Films of Diblock Copolymer/Homopolymer Mixtures

Monte Carlo simulations of equilibrium solubilities and structure of water in n -alkanes and polyethylene

Component segmental mobilities in an athermal polymer blend: Quasielastic incoherent neutron scattering versus simulation

Atomic structure of a high polymer melt

Quasi-elastic neutron scattering and molecular dynamics simulation as complementary techniques for studying diffusion in zeolites

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