lj_monte_carlo

Simple Lennard Jones Liquid MC simulation implemented in Rust

To compile, run:

// release builds are much faster because of enabled lto
cargo build --release 

The compiled binary can then be found in target/release.

Phase diagram of a 6-12 lj fluid

(cutoff rc of 3.5 sigma)

Source: Ge J. et ak., Scaling behavior for a pressure and energy of shearing fluids. Phys Rev 061201, p. 67-68, 2003

Results

Some results obtained during the creation of this project

Function of state at different temperatures. 512 particles were simulated with applied potential shift and tailcorrection. Displacement scaled to have 33% acceptance rate during 1mio steps. Averages over 100k steps.