alsignoriello / md_harddisks

molecular dynamics simulation with hard disks

2D Molecular Dynamics Hard Disks

Simulates 2D molecular dynamics simulation with hard sphere potential.

Definitions

Hooke's Law for spring potential

F = -kx

Velocity Verlet Integration

Steps are described here: https://en.wikipedia.org/wiki/Verlet_integration

Step 1: Get positions from current velocity and acceleration

Step 2: Derive accelerations from interaction potentials

Step 3: Calculate new velocities from accelerations

Running the Simulation

sh run.sh [folder]

Parameters

Parameter	Definition	Type
folder	folder to write data	str
N	number of particles	int
d	diameter of particles	float
m	mass of particle	float
k	spring potential	float
B	drag force	float
L	length of Box	float
dt	time step	float
Nt	number of time steps	int

Assumptions

-periodic boundary conditions

-Max N is 100 (or adapt initalization)