Biaxial Stretch-Induced Crystallization of Polymers: A Molecular Dynamics Simulation Study

Modeling Crystallization Kinetics and Resulting Properties of Polyamide 6

(2021) Nazila Yaghini et al.   MACROMOLECULES

A Unified Thermodynamic Model of Flow-induced Crystallization of Polymer

(2021) Cui Nie et al.   CHINESE JOURNAL OF POLYMER SCIENCE

Strain-Induced Crystallization in Natural Rubber: Flory’s Theory Revisited

(2020) Paul Sotta et al.   MACROMOLECULES

PolySTRAND Model of Flow-Induced Nucleation in Polymers

(2020) Daniel J. Read et al.   PHYSICAL REVIEW LETTERS

Numerical calculation of free-energy barriers for entangled polymer nucleation

(2020) Xiaoliang Tang et al.   JOURNAL OF CHEMICAL PHYSICS

Effect of Flow-Induced Nematic Order on Polyethylene Crystal Nucleation

(2020) Wenlin Zhang et al.   MACROMOLECULES

A Thermodynamically Inspired Method for Quantifying Phase Transitions in Polymeric Liquids with Application to Flow-Induced Crystallization of a Polyethylene Melt

(2020) Mohammad Hadi Nafar Sefiddashti et al.   MACROMOLECULES

Understanding flow-induced crystallization in polymers: A perspective on the role of molecular simulations

(2019) Richard S. Graham   JOURNAL OF RHEOLOGY

Cascade Self-Organization of Shish Kebabs in Fibers Spun from Polymer Solutions: Crystalline Fibrils Bridging Neighboring Kebabs Discovered by Transmission Electron Microtomography

(2019) Hiroki Murase et al.   MACROMOLECULES

Molecular Dynamics Simulation of Stretch-Induced Crystallization in Polyethylene: Emergence of Fiber Structure and Molecular Network

(2019) Takashi Yamamoto   MACROMOLECULES

Modeling and Simulations of Polymers: A Roadmap

(2019) Thomas E. Gartner et al.   MACROMOLECULES

Molecular dynamics simulations of crystal nucleation in entangled polymer melts under start-up shear conditions

(2019) Muhammad Anwar et al.   JOURNAL OF CHEMICAL PHYSICS

An assessment of models for flow-enhanced nucleation in an n-alkane melt by molecular simulation

(2019) David A. Nicholson et al.   JOURNAL OF RHEOLOGY

The Tough Journey of Polymer Crystallization: Battling with Chain Flexibility and Connectivity

(2019) Xiaoliang Tang et al.   MACROMOLECULES

Crystallization and Molecular Topology of Linear Semicrystalline Polymers: Simulation of Uni- and Bimodal Molecular Weight Distribution Systems

(2019) Zengqiang Zhai et al.   MACROMOLECULES

Processing Pathways Decide Polymer Properties at the Molecular Level

(2019) Sivasurender Chandran et al.   MACROMOLECULES

Frustrating Strain-Induced Crystallization of Natural Rubber with Biaxial Stretch

(2019) Xiaowei Chen et al.   ACS Applied Materials & Interfaces

Can Ordered Precursors Promote the Nucleation of Solid Solutions?

(2019) Caroline Desgranges et al.   PHYSICAL REVIEW LETTERS

Modelling flow induced crystallization of IPP: Multiple crystal phases and morphologies

(2019) Giovanna Grosso et al.   POLYMER

Multiscale and Multistep Ordering of Flow-Induced Nucleation of Polymers

(2018) Kunpeng Cui et al.   CHEMICAL REVIEWS

Crystal Growth in Polyethylene by Molecular Dynamics: The Crystal Edge and Lamellar Thickness

(2018) Tuukka Verho et al.   MACROMOLECULES

Stretch-Induced Coil–Helix Transition in Isotactic Polypropylene: A Molecular Dynamics Simulation

(2018) Chun Xie et al.   MACROMOLECULES

Overcoming the Time Limitation in Molecular Dynamics Simulation of Crystal Nucleation: A Persistent-Embryo Approach

(2018) Yang Sun et al.   PHYSICAL REVIEW LETTERS

The physics of polymer chain-folding

(2018) Wenbing Hu   PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS

Flow-induced density fluctuation assisted nucleation in polyethylene

(2018) Xiaoliang Tang et al.   JOURNAL OF CHEMICAL PHYSICS

Ordering and Crystallization of Entangled Polyethylene Melts under Uniaxial Tension: A Molecular Dynamics Study

(2018) Yelena R. Sliozberg et al.   MACROMOLECULES

Local structure order assisted two-step crystal nucleation in polyethylene

(2017) Xiaoliang Tang et al.   PHYSICAL REVIEW MATERIALS

Molecular simulation of flow-enhanced nucleation in n-eicosane melts under steady shear and uniaxial extension

(2016) David A. Nicholson et al.   JOURNAL OF CHEMICAL PHYSICS

Analysis of nucleation using mean first-passage time data from molecular dynamics simulation

(2016) David A. Nicholson et al.   JOURNAL OF CHEMICAL PHYSICS

Dissolution and Re-emergence of Flow-Induced Shish in Polyethylene with a Broad Molecular Weight Distribution

(2016) Zhe Ma et al.   MACROMOLECULES

Entanglements and Crystallization of Concentrated Polymer Solutions: Molecular Dynamics Simulations

(2016) Chuanfu Luo et al.   MACROMOLECULES

Flow-Induced Crystallization of Polymers: Molecular and Thermodynamic Considerations

(2016) Zhen Wang et al.   MACROMOLECULES

Microbeam Wide-Angle X-ray Scattering Study on Precursor of Shish Kebab. Effects of Shear Rate and Annealing on Inner Structure

(2015) Tomohiko Matsuura et al.   MACROMOLECULES

Kinetic Process of Shish Formation: From Stretched Network to Stabilized Nuclei

(2015) Kunpeng Cui et al.   MACROMOLECULES

Nonequilibrium Nature of Flow-Induced Nucleation in Isotactic Polypropylene

(2015) Kunpeng Cui et al.   MACROMOLECULES

Crystallization of polyethylene: A molecular dynamics simulation study of the nucleation and growth mechanisms

(2015) Muhammad Anwar et al.   POLYMER

Inducing uniform single-crystal like orientation in natural rubber with constrained uniaxial stretch

(2015) Weiming Zhou et al.   Soft Matter

Plastic Deformation Mechanisms of Semicrystalline and Amorphous Polymers

(2015) Sara Jabbari-Farouji et al.   ACS Macro Letters

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

(2015) Chuanfu Luo et al.   ACS Macro Letters

Crystal nucleation mechanism in melts of short polymer chains under quiescent conditions and under shear flow

(2014) Muhammad Anwar et al.   JOURNAL OF CHEMICAL PHYSICS

Extension-Induced Nucleation under Near-Equilibrium Conditions: The Mechanism on the Transition from Point Nucleus to Shish

(2014) Dong Liu et al.   MACROMOLECULES

Frozen Topology: Entanglements Control Nucleation and Crystallization in Polymers

(2014) Chuanfu Luo et al.   PHYSICAL REVIEW LETTERS

Correlation between Flow-Induced Nucleation Morphologies and Strain in Polyethylene: From Uncorrelated Oriented Point-Nuclei, Scaffold-Network, and Microshish to Shish

(2013) Dong Liu et al.   MACROMOLECULES

Simulations: The dark side

(2013) D. Frenkel   European Physical Journal Plus

Disentanglement of Linear Polymer Chains Toward Unentangled Crystals

(2012) Chuanfu Luo et al.   ACS Macro Letters

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

(2011) Chuanfu Luo et al.   MACROMOLECULES

Flow-Induced Crystallization: Unravelling the Effects of Shear Rate and Strain

(2010) Ahmad Jabbarzadeh et al.   MACROMOLECULES

Coding coarse grained polymer model for LAMMPS and its application to polymer crystallization

(2009) Chuanfu Luo et al.   COMPUTER PHYSICS COMMUNICATIONS