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added figures tutorial 8
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.. figure:: avatars/avatar_light.webp
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.. figure:: avatars/avatar.webp
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:height: 250
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:alt: Lennard Jones atoms simulated with LAMMPS
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:alt: Carbon nanotube (CNT) embedded in a polymer melt composed of polystyrene with LAMMPS
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:class: only-light
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:align: right
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.. figure:: avatars/avatar_dark.webp
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.. figure:: avatars/avatar-dm.webp
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:height: 250
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:alt: Lennard Jones atoms simulated with LAMMPS
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:alt: Carbon nanotube (CNT) embedded in a polymer melt composed of polystyrene with LAMMPS
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:class: only-dark
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:align: right
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The goal of this tutorial is to create a model of a carbon nanotube (CNT) embedded
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in a polymer melt made of polystyrene (PS) (Fig.~\ref{fig:REACT}). The
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REACTER protocol is used to simulate the polymerization of styrene monomers, and the
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polymerization reaction is followed in time :cite:`gissinger2017polymer, gissinger2020reacter, gissinger2024molecular`.
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In contrast with AIREBO :ref:`carbon-nanotube-label`
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and ReaxFF :ref:`reactive-silicon-dioxide-label`, the REACTER
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protocol relies on the use of a *classical* force field.
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The goal of this tutorial is to create a model of a carbon nanotube (CNT)
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embedded in a polymer melt composed of polystyrene (PS). The REACTER
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protocol is used to simulate the polymerization of styrene monomers, and the
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polymerization reaction is tracked over time :cite:`gissinger2017polymer,
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gissinger2020reacter, gissinger2024molecular`. In contrast to AIREBO
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:ref:`carbon-nanotube-label` and ReaxFF :ref:`reactive-silicon-dioxide-label`,
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the REACTER protocol relies on the use of a *classical* force field.

docs/sphinx/source/tutorial8/tutorial.rst

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Creating the system
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===================
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To begin this tutorial, select ``Start Tutorial 8`` from the
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``Tutorials`` menu of LAMMPS--GUI and follow the instructions.
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The editor should display the following content corresponding to **mixing.lmp**:
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To begin this tutorial, select ``Start Tutorial 8`` from the ``Tutorials`` menu
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of LAMMPS--GUI and follow the instructions. The editor should display the
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following content corresponding to **mixing.lmp**:
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.. code-block:: lammps
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.. math::
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\sigma_{ij} & = & 2^{-1/6} (\sigma^6_i+\sigma_j^6)^{1/6}, ~ \text{and}
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\sigma_{ij} = 2^{-1/6} (\sigma^6_i+\sigma_j^6)^{1/6},
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\epsilon_{ij} & = & \dfrac{2 \sqrt{\epsilon_i \epsilon_j} \sigma^3_i \sigma^3_j}{\sigma^6_i+\sigma_j^6}.
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and
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.. math::
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\epsilon_{ij} = \dfrac{2 \sqrt{\epsilon_i \epsilon_j} \sigma^3_i \sigma^3_j}{\sigma^6_i+\sigma_j^6}.
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Let us read the |CNT_data_8| file, which contains a periodic single-walled
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CNT. Add the following line to **mixing.lmp**:
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- |P_P_post_mol_8|,
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- |P_P_rxnmap_8|.
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Here, the file names for each reaction use the abbreviation `M' for monomer and `P'
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Here, the file names for each reaction use the abbreviation ``M`` for monomer and ``P``
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for polymer.
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.. |M_M_pre_mol_8| raw:: html
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such as the reaction distance cutoffs and the frequency with which to search for
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reaction sties, are also specified in this command.
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ADD REACT-final FIGURE: Final configuration.
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The atoms from the formed polymer named ``c1``, ``c2``, and
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``c3`` are colored in pink.
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.. figure:: figures/REACT-composite-dm.png
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:class: only-dark
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:alt: Evolution of reacting species
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.. figure:: figures/REACT-composite.png
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:class: only-light
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:alt: Evolution of reacting species
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.. container:: figurelegend
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Figure: Initial (left) and final (right) configuration.
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The atoms from the formed polymer named ``c1``, ``c2``, and
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``c3`` are colored in pink.
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.. admonition:: Note
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:class: non-title-info

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