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Out-of-Equilibrium: Structure and Dynamics of Polymers

INVITED · D12 · ID: 773845

Presentations

  • New Computational Tools to Address a Hard Non-equilibrium Problem: Crystallization of Polyethylene

    ORAL · Invited

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    Publication: W. Zhang and R.G. Larson Macromolecules 51:4762-4769 2018; "Direct All-Atom Molecular Dynamics Simulations of the Effects of Short Chain Branching on Polyethylene Oligomer Crystal Nucleation." <br><br>W. Zhang and R.G. Larson ACS Central Sci 4:1545-1550 2018; "Tension-Induced Nematic Phase Separation in Bidisperse Homopolymer Melts." <br><br>W. Zhang and R.G. Larson J. Chem. Phys. 150:244903 2019; "A Metastable Nematic Precursor Accelerates Polyethylene Oligomer Crystallization as Determined by Atomistic Molecular Simulations and Self-Consistent Field Theory." <br><br>W. Zhang and R.G. Larson Macromolecules 53:7650-7657 2020; "Effect of Flow-Induced Nematic Order on Polyethylene Crystal Nucleation." <br><br>Y. Gong, V. Ginzburg, S. Vervoort, J. Den Doelder, and R.G. Larson, J. Rheol., 65:43-57 2021, "Strategy for reducing molecular ensemble size for efficient rheological modeling of commercial polymers."<br><br>Y. Gong, W. Zhang, and R.G. Larson, Macromolecules, 15:6311-6320, "Interfacial Oriented Precursor to Secondary Nucleation Revealed by Molecular Dynamic Simulations"<br><br><br>

    Presenters

    • Ronald G Larson

      University of Michigan

    Authors

    • Ronald G Larson

      University of Michigan

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  • Initial Solvent Induced Non-Equilibrium Effect of Polymer Nanocomposites

    ORAL · Invited

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    Publication: Processing method determines the long-term stability of particle dispersions in concentrated nanoparticle/polymer suspensions, Sol Mi Oh, Chae Han Lee, and So Youn Kim*, Soft Matter, 2022, 18, 841–848.<br><br>Initial Solvent-Driven Nonequilibrium Effect on Structure, Properties, and Dynamics of Polymer Nanocomposites, Sol Mi Oh, Mozhdeh Abbasi, Tae Joo Shin, Kay Saalwächter*, and So Youn Kim*,<br>Phys. Rev. Lett., 2019, 123, 167801.

    Presenters

    • So Youn Kim

      Seoul Natl Univ, Seoul National University

    Authors

    • So Youn Kim

      Seoul Natl Univ, Seoul National University

    • Sol Mi Oh

      Ulsan Natl Inst of Sci & Tech

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  • Atomistic simulation of microphase separation and flow-induced crystallization above the melting point of entangled polymers under elongational flow

    ORAL · Invited

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    Publication: 1.) Flow-induced crystallization of a polyethylene liquid above the melting temperature and its nonequilibrium phase diagram, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, Phys. Rev. Res., 2, 013035 (2020).<br><br>2.) Flow-induced phase separation and crystallization in entangled polyethylene solutions under elongational flow, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, Macromolecules, 53, 6432-6451 (2020) [cover article].<br><br>3.) A thermodynamically inspired method for quantifying phase transitions in polymeric liquids with application to flow-induced crystallization of a polyethylene melt, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, Macromolecules, 53, 10487-10502 (2020).<br><br>4.) Communication: A method for calculating the nonequilibrium entropy of a flowing polymer melt via atomistic simulation, B.J. Edwards, M.H. Nafar Sefiddashti, and B. Khomami, J. Chem. Phys., 155, 111101 (2021).<br><br>5.) Elucidating the role of network topology dynamics on the coil-stretch transition hysteresis in extensional flow of entangled polymer melts, M. Boudaghi-Khajehnobar, M.H. Nafar Sefiddashti, B.J. Edwards, and B. Khomami, J. Rheol., 66, 551-569 (2022).<br><br>6.) Nonequilibrium thermodynamics of polymeric liquids via atomistic simulation, B.J. Edwards, M.H. Nafar Sefiddashti, and B. Khomami, Entropy, 24, 175 (2022) [selected as an Editors' Choice, feature paper, and cover article].

    Presenters

    • Brian J Edwards

      University of Tennessee Knoxville, University of Tennessee

    Authors

    • Brian J Edwards

      University of Tennessee Knoxville, University of Tennessee

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