Tags: Polymer Modeler

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Description

The Polymer Modeler tool provides a chain builder, with options to specify monomers, monomer arrangements (tacticity), torsion angles between monomers, system parameters such as density and temperature, as well as some prebuilt epoxy structures from current research interests. The resulting structure (constructed or prebuilt) can be used as input to LAMMPS to run molecular dynamics (MD) simulations. Many MD options are available. Structures packed with this tool may be used as inputs to the nuSIMM tool.

Polymer Modeler Tool

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  1. Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler

    Online Presentations | 14 Jul 2023 | Contributor(s):: Tongtong Shen

    In this talk, I will showcase how atomic-level simulations can lead to a more fundamental understanding of PAN crystal structures and guide you through an interactive Polymer Modeler powered by nanoHUB.

  2. Jun 09 2023

    Exploring the Nano World: Building Nanoscale Structures with Polymer Modeler

    Exploring the Nano World: Building Nanoscale Structures with Polymer ModelerPresenter:Dr. Tongtong (Tanya) Shen, AppleDate and Time:June 9, 2023; 2:00 - 3:00 PM EDTRegister hereAbstract:The...

    https://nanohub.org/events/details/2263

  3. Issue in building large polymer system

    Q&A|Closed | Responses: 2

    Is it normal to see: "submitting polymer model to remote site ..." for more than 3 hrs for a large number of chains and monomers (100 chains and 1000 monomer). The simulation is still...

    https://nanohub.org/answers/question/2392

  4. How do i make build oriented /crystalline polymers conforming along the same direction using polymer modeler in nanohub.org

    Q&A|Closed | Responses: 1

    https://nanohub.org/answers/question/2390

  5. Atom number limits in monomer

    Q&A|Closed | Responses: 3

    Dear "Polymer Modeler" Developers,

    Is there any limit that restricts the length of backbone chain and the length of side-chain in a monomer?
    I am trying to build...

    https://nanohub.org/answers/question/2082

  6. What are the Dreiding paramters for graphene ?

    Q&A|Open | Responses: 1

    Hi,

    I am using lammps to simulate PMMA-graphene composite system. I used polymer modeller to create the PMMA chains. I want to add the graphene sheet but I am not sure what bond_coeff,...

    https://nanohub.org/answers/question/1596

  7. Why does my simulation end with an error?

    Q&A|Closed | Responses: 1

    Hi,

    I'm interested in building long polymer chains and was eager to try out this tool. However, it appears that I get an error when I begin a simulation of a polymer built from one...

    https://nanohub.org/answers/question/1498

  8. Polymer Modeler

    Tools | 28 Jun 2010 | Contributor(s):: Benjamin P Haley, Nate Wilson, Chunyu Li, Andrea Arguelles, Eugenio Jaramillo, Alejandro Strachan

    Build thermoplastic polymer chains and run LAMMPS to relax the chains and study mechanical properties