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The main columns include:
$\textbf{ \underline{\dag"LAMMPS Tips":}}$ Mainly introduces the use of molecular dynamics ( $L amm p s$ ) simulation related installation tutorials, principles and simulation tips (difficulty: $\bigstar$ )
$\textbf{ \underline{\dag\dag"LAMMPS Instance Tutorial—In File Detailed Explanation":}}$ Mainly introduces the use of molecular dynamics ( $L amm p s$ ) to simulate related physical process simulations. (Including: calculation of thermal conductivity, calculation of specific heat capacity at constant pressure, difficulty: $\bigstar$ $\$ $★$ )
$\textbf{ \underline{\dag\dag\dag"Lammps programming skills and post-processing skills":}}$ Mainly introduces the post-correlation processing analysis for the dynamic process (trajectory file) of molecular simulation (needs certain programming ability. Difficulty: $\bigstar$ $\$ $\$ $\$ $★$ ).
$\textbf{ \underline{\dag\dag\dag\dag《Molecular Dynamics Postprocessing Integrated Function—Matlab》：}}$ It mainly introduces the packaging of the specified function in the post-processing process, which is convenient for users to call directly (a certain programming ability is required, difficulty: $\bigstar$ $\$ $\$ $★$ ).
$\textbf{ \underline{\dag\dag\dag\dag\dag"SCI Paper Drawing—Python Drawing Common Templates and Techniques": }}$ It mainly introduces the visualization of processed data and provides corresponding drawing templates (a certain programming ability is required, difficulty: $\bigstar$ $\$ $\$ $★$ ).
$\textbf{ \underline{\dag\dag\dag\dag\dag\dag "Molecular Simulation - Ovito Rendering Case Tutorial": }}$ Mainly use $\rm Ovito$ software, for $\ rm Lammps$ for rendering (difficulty: $\bigstar$ $★$ ）。

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$\spadesuit$ $\day$ Open source post-processing integration program: Please pay attention to the column"LAMMPS post-processing - MATLAB sub-function collection"
$\spadesuit$ $\day$ $\day$ For a custom post-processing program please email: $lammps_materials@163. com \rm lammps\[email protected]$

System Boundary Identification of Ovito Rendering Skills

1. Rendering requirements
2. OVITO: Surface Mesh
3. OVITO: Surface Mesh specific operation
4. Rendering by boundary distance
5. Case download

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1. Rendering requirements

During the simulation process, we usually need to obtain information on the surface of the system, such as the surface change of the cutting workpiece, the droplet surface where the droplet condenses, and so on.
This is not only for the post-processing process, it is necessary to count the object characteristics of these surface structures, such as the heat transfer process and the temperature change of the solid-liquid interface.
Herein lies an important question: how to identify these atoms? Or what if rendered?

$Let's take the wetting process of droplets on the surface of graphene as an example to analyze:$

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2. OVITO: Surface Mesh

Here you need to use $\rm Ovito$ 3.4.4 $Version 3.4.4$ .
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In surface mesh, the surface atoms of the system can be selected and identified. The specific identification process can refer to the official website of OVITO.