Molecular dynamic simulation for radial distribution function of Xenon and Argon fluids

Molecular dynamics simulations are in many respects very similar to real experiments. When we perform a real experiments, we proceed as follows. We prepare a sample of the material that we wish to study. We connect this sample to a measuring instrument (e.g., a thermometer, manometer, or viscosimeter), and we measure the property of interest during a certain time interval. If our measurements are subject to statistical noise (as most measurement becomes. In a molecular dynamics simulations, we follow exactly the same approach. First, we prepare a sample: we select a model system consisting of N particles and we solve Newton`s equations of motion for this system until the properties of the system no longer change with time (we equilibrate the system). After equilibration, we perform the actual measurement [1].