LAMMPS Tutorials

LAMMPS

Tutorials, Examples, Snippets, Data, etc.

Tutorials

Custom Input Scripts

Tutorial 1a - Running your first simulation on Ubuntu, Calculating Basic Lattice Properties

Tutorial 1b - Calculating a pressure-volume curve

Tutorial 2a - Applying deformation to your system (...in progress)

Tutorial 2b - More deformation types (...in progress)

Tutorial 3 - Creating Dislocations (...coming soon)

Tutorial 4 - Calculating Elastic Constants (...coming soon)

Tutorial 5 - Calculating Melting Temperature (...coming soon)

Code Snippets

Lattice Orient Spacing

Lattice Custom

Documented crystal structures: SiC (2H, 3C, 4H); SnO2; Ti (omega); C (graphene)

Loops (...coming soon)

Modified from LAMMPS Examples Directory

Input of Carbon structures into simulations

Graphene, Graphullerene, Fullerenes

Nanoindentation

Creating a Polycrystalline Microstructure via Simulated Sintering

Carbon Foam Synthesis

Crumpling a Graphene Sheet

Adatom Diffusion

Diamond Impactor on Graphene

Multiple Graphene Sheets!

Primary Knock-on from Irradiation

Creating a High Entropy Alloy Atomic Mixture

Block Copolymer

Other Reference Data files

TATB
B4C

Other Reference input scripts

Thanks!

Many of these examples started with a colleague asking for help with a new project or often: "is this possible to simulate?".

Over the years I have been offered a coffee or beer and had the opportunity to work on a number of these projects in my free time. The LAMMPS and other open-source communities were vital during my grad school and research - this is my way of giving back. If you still wish to show your thanks, I appreciate the gesture and, though it is not expected, it is very much appreciated.

Cheers,

Eric