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<!DOCTYPE HTML>
<html>
<head>
<title>LAMMPS scrips</title>
<meta charset="utf-8" />
<meta name="viewport" content="width=device-width, initial-scale=1, user-scalable=no" />
<link rel="stylesheet" href="../assets/css/main.css" />
<noscript><link rel="stylesheet" href="../assets/css/noscript.css" /></noscript>
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<script async src="https://www.googletagmanager.com/gtag/js?id=G-W1WGEC5GQ8"></script>
<script>
window.dataLayer = window.dataLayer || [];
function gtag(){dataLayer.push(arguments);}
gtag('js', new Date());
gtag('config', 'G-W1WGEC5GQ8');
</script>
</head>
<body class="is-preload">
<div id="wrapper">
<header id="header">
<div class="inner">
<a href="../index.html" class="logo">
Back to the main page
</a>
</div>
</header>
<div id="main">
<div class="inner">
<h1>LAMMPS script</h1>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/CNTdeformationAIREBO" target="_blank">
<h2> Carbon nanotube under longitudinal strain using a reactive force field
</h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/CNTdeformationAIREBO" target="_blank">
<span class="image main"><img src="CNTunderdeformation.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/GOparticle" target="_blank">
<h2> Graphene oxide nanoparticle and water molecules
</h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/GOparticle" target="_blank">
<span class="image main"><img src="GOnanoparticle.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/NanographeneInShearFlow" target="_blank">
<h2> The abnormal behaviour of graphene quantum dot in shear flow </h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/NanographeneInShearFlow" target="_blank">
<span class="image main"><img src="NanographeneInShearFlow.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/LiquidExfoliationGraphene" target="_blank">
<h2> Liquid exfoliation of a multilayer nanographene: out-of-equilibrium molecular dynamic simulations </h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/LiquidExfoliationGraphene" target="_blank">
<span class="image main"><img src="LiquideExfoliationGraphene.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/MeltingGold" target="_blank">
<h2> Melting of a cube of gold metal using the embedded atom method (eam) force field
</h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/MeltingGold" target="_blank">
<span class="image main"><img src="MeltingGold.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/ReversiblyAdorbingParticles" target="_blank">
<h2> Adsorption combined with diffusion create pink noise in nanopore </h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/ReversiblyAdorbingParticles" target="_blank">
<span class="image main"><img src="ReversiblyAdsorbingParticles.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/SaltDissolutionInWater" target="_blank">
<h2> NaCl dissolution in water </h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/SaltDissolutionInWater" target="_blank">
<span class="image main"><img src="NaCldissolution.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/Silicalite" target="_blank">
<h2> Silicalite SiO2 MFI structure </h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/Silicalite" target="_blank">
<span class="image main"><img src="SilicaliteTersoff.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/WaterInCNT" target="_blank">
<h2> Water in a carbon nanotube using grand canonical Monte Carlo and molecular dynamics </h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/WaterInCNT" target="_blank">
<span class="image main"><img src="WaterInCNT.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/WaterTolueneAirInterface" target="_blank">
<h2> Molecular dynamics simulation of a oil-water-vapor interface </h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/WaterTolueneAirInterface" target="_blank">
<span class="image main"><img src="WaterToluene.jpeg" alt="" /></span>
</a>
<br><br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/WaterVapourInterface" target="_blank">
<h2> Vaporisation of a water slab using molecular dynamics simulation </h2>
</a>
<br>
<a href="https://github.com/simongravelle/LAMMPS/tree/main/WaterVapourInterface" target="_blank">
<span class="image main"><img src="WaterVapour.jpeg" alt="" /></span>
</a>
</div>
</div>
<footer id="footer">
<div class="inner">
<section>
<b>Find me on :</b>
<br>
<a href="https://twitter.com/GravelleSimon" target="_blank" class="removelinkdefault"><strong class="fab fa-twitter"></strong> twitter </a>
<a href="https://github.com/simongravelle" target="_blank" class="removelinkdefault"><strong class="fab fa-github"></strong> github </a>
<a href="https://scholar.google.com/citations?user=9fD2JlYAAAAJ&hl=fr" target="_blank" class="removelinkdefault"><strong class="fa fa-graduation-cap"></strong> google scholar </a>
<a href="https://orcid.org/0000-0003-2149-6706" target="_blank" class="removelinkdefault"><strong>iD</strong> orcid </a>
<a href="https://www.youtube.com/channel/UCLmK_9wpyLVpcP7BPgN6BIw?view_as=subscriber" target="_blank" class="removelinkdefault"><strong class="fab fa-youtube"></strong> youtube </a>
<br> <br>
<b>See my personal page :</b>
<br>
<a href="https://simongravelle.github.io/" target="_blank" target="_blank">simongravelle.github.io</a>
<br> <br>
<b>Contact me by email :</b>
<br>
s.gravelle at qmul.ac.uk
</section>
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