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Molecular dynamics simulations of polymer crystallization under confinement: Entanglement effect

Polymer (Guilford), 2017-01, Vol.109, p.71-84

2017

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Growth Pathway and Precursor States in Single Lamellar Crystallization: MD Simulations

Macromolecules, 2011-03, Vol.44 (6), p.1523-1529

2011

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Molecular dynamics simulations of semicrystalline polymers: Crystallization, melting, and reorganization

Journal of polymer science. Part B, Polymer physics, 2010-11, Vol.48 (21), p.2222-2232

2010

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Molecular mechanics of coiled coils loaded in the shear geometry

Chemical science (Cambridge), 2018, Vol.9 (20), p.4610-4621

2018

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Coexistence of melting and growth during heating of a semicrystalline polymer

Physical review letters, 2009-04, Vol.102 (14), p.147801-147801, Article 147801

2009

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Accumulation of Hydrogen Bonds and van der Waals Interactions Determines Force Response between Two Parallel Cellulose Chains: Steered Molecular Dynamics Simulations

The journal of physical chemistry. B, 2024-07, Vol.128 (28), p.6742-6750

2024

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Stretching effect on intrachain conformational ordering of polymers: A steered molecular dynamics simulation

Polymer (Guilford), 2022-07, Vol.254, p.125106, Article 125106

2022

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Ferroelectric Ordering in Ice Nanotubes Confined in Carbon Nanotubes

Nano letters, 2008-09, Vol.8 (9), p.2607-2612

2008

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How asymmetric chirality and chain density affect chain stiffness of polymer melts

Computational materials science, 2022-02, Vol.203, p.111071, Article 111071

2022

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D-arginine Enhances the Effect of Alpha-Amylase on Disassembling Actinomyces viscosus Biofilm

Frontiers in bioengineering and biotechnology, 2022-03, Vol.10, p.864012-864012

2022

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A challenging topic of computer simulations: Polymorphism in polymers

Polymer crystallization, 2020-04, Vol.3 (2), p.n/a

Luo, Chuanfu

2020

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Reconstruction of the Entanglement Network and Its Effect on the Crystallization and Mechanical Strength of Sintered Polymers

Macromolecules, 2023-07, Vol.56 (14), p.5237-5247

2023

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Multilayered nature in crystallization of polymer droplets studied by MD simulations: Orientation and entanglement

Polymer (Guilford), 2023-02, Vol.268, p.125696, Article 125696

2023

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State Transitions and Crystalline Structures of a Single Polyethylene Chain: MD Simulations

The journal of physical chemistry. B, 2022-02, Vol.126 (4), p.964-975

2022

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State Transitions and Crystalline Structures of Single Polyethylene Rings: MD Simulations

The journal of physical chemistry. B, 2024-07, Vol.128 (27), p.6598-6609

2024

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Quantifying Crystallinity in Poly( p -phenylene terephthalamide) by Raman Spectroscopy

Macromolecules, 2024-07

2024

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Pathway of orientational symmetry breaking in crystallization of short n-alkane droplets: A molecular dynamics study

The Journal of chemical physics, 2020-08, Vol.153 (8), p.084903-084903

2020

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Entanglements and Crystallization of Concentrated Polymer Solutions: Molecular Dynamics Simulations

Macromolecules, 2016-12, Vol.49 (23), p.9017-9025

2016

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Molecular Dynamics Simulation of Crystallization Cyclic Polymer Melts As Compared to Their Linear Counterparts

Macromolecules, 2017-12, Vol.50 (24), p.9796-9806

2017

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Triple-Helix Conformation of a Polysaccharide Determined with Light Scattering, AFM, and Molecular Dynamics Simulation

Macromolecules, 2018-12, Vol.51 (24), p.10150-10159

2018

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Conformation Directed Mpemba Effect on Polylactide Crystallization

Crystal growth & design, 2018-10, Vol.18 (10), p.5757-5762

2018

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Role of Thermal History and Entanglement Related Thickness Selection in Polymer Crystallization

ACS macro letters, 2016-01, Vol.5 (1), p.30-34

2016

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Structure-dependent ferroelectricity of niobium clusters (Nbn, N=2-52)

Physical review. B, Condensed matter and materials physics, 2005-06, Vol.71 (24), p.245415.1-245415.5, Article 245415

2005

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Adsorption of O2 on tubelike Au24 and Au24- clusters

The Journal of chemical physics, 2006-08, Vol.125 (8), p.084707-084707

2006

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Disentanglement of Linear Polymer Chains Toward Unentangled Crystals

ACS macro letters, 2013-01, Vol.2 (1), p.31-34

2013

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Molecular dynamics simulations of polymer crystallization under confinement: Entanglement effect

Growth Pathway and Precursor States in Single Lamellar Crystallization: MD Simulations

Molecular dynamics simulations of semicrystalline polymers: Crystallization, melting, and reorganization

Molecular mechanics of coiled coils loaded in the shear geometry

Coexistence of melting and growth during heating of a semicrystalline polymer

Accumulation of Hydrogen Bonds and van der Waals Interactions Determines Force Response between Two Parallel Cellulose Chains: Steered Molecular Dynamics Simulations

Stretching effect on intrachain conformational ordering of polymers: A steered molecular dynamics simulation

Ferroelectric Ordering in Ice Nanotubes Confined in Carbon Nanotubes

How asymmetric chirality and chain density affect chain stiffness of polymer melts

D-arginine Enhances the Effect of Alpha-Amylase on Disassembling Actinomyces viscosus Biofilm

A challenging topic of computer simulations: Polymorphism in polymers

Reconstruction of the Entanglement Network and Its Effect on the Crystallization and Mechanical Strength of Sintered Polymers

Multilayered nature in crystallization of polymer droplets studied by MD simulations: Orientation and entanglement

State Transitions and Crystalline Structures of a Single Polyethylene Chain: MD Simulations

State Transitions and Crystalline Structures of Single Polyethylene Rings: MD Simulations

Quantifying Crystallinity in Poly( p -phenylene terephthalamide) by Raman Spectroscopy

Pathway of orientational symmetry breaking in crystallization of short n-alkane droplets: A molecular dynamics study

Entanglements and Crystallization of Concentrated Polymer Solutions: Molecular Dynamics Simulations

Molecular Dynamics Simulation of Crystallization Cyclic Polymer Melts As Compared to Their Linear Counterparts

Triple-Helix Conformation of a Polysaccharide Determined with Light Scattering, AFM, and Molecular Dynamics Simulation

Conformation Directed Mpemba Effect on Polylactide Crystallization

Role of Thermal History and Entanglement Related Thickness Selection in Polymer Crystallization

Structure-dependent ferroelectricity of niobium clusters (Nbn, N=2-52)

Adsorption of O2 on tubelike Au24 and Au24- clusters

Disentanglement of Linear Polymer Chains Toward Unentangled Crystals

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