Skip to content

Commit 8100973

Browse files
committed
added avatar tutorial 8
1 parent 5a5d7b8 commit 8100973

2 files changed

Lines changed: 10 additions & 1 deletion

File tree

figures/REACT.png

580 KB
Loading

lammps-tutorials.tex

Lines changed: 10 additions & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -3976,8 +3976,17 @@ \subsubsection{Method 2: Umbrella sampling}
39763976
\subsection{Tutorial 8: Reactive Molecular Dynamics}
39773977
\label{bond-react-label}
39783978

3979+
\begin{figure}
3980+
\centering
3981+
\includegraphics[width=0.55\linewidth]{REACT}
3982+
\caption{Polymer melt made in nylon and carbon nanotubes (CNTs) simulated during
3983+
\hyperref[bond-react-label]{Tutorial 8}. The water molecules (in red and white)
3984+
are created by the polymerization of nylon simulation using REACTER.}
3985+
\label{fig:REACT}
3986+
\end{figure}
3987+
39793988
The goal of this tutorial is to create a system made of
3980-
carbon nanotubes (CNTs) embedded in a polymer melt made in nylon-6,6. The
3989+
carbon nanotubes (CNTs) embedded in a polymer melt made in nylon-6,6 (Fig.\,\ref{fig:REACT}). The
39813990
REACTER protocol is used to simulate the polymerization of nylon, and the formation
39823991
of water molecules is followed in time \cite{gissinger2020reacter, gissinger2024molecular}.
39833992
In contrast with Airebo (\hyperref[carbon-nanotube-label]{Tutorial 2})

0 commit comments

Comments
 (0)