Question: Consider two particles that are interacting via a LennardJones potential, The dynamic equation for the distance r between these particles is given by the force

Consider two particles that are interacting via a Lennard–Jones potential,V = r-12_r-6

The dynamic equation for the distance r between these particles is given by the force balance (in dimensionless form),dr dt 12r-13 6r-7

where we used the relationship between potential energy and force, f = −dV/dr. Write a MATLAB program that uses implicit Euler to find the position r as a function of time t for an initial separation of r = 1.3 and no initial velocity. The program should produce a plot of the position versus time. Include the residual and Jacobian you used to solve this problem. There is something bizarre about the result, explain. Think about the minimum value of the potential energy and the dynamics of a particle in a potential field.

V = r-12_r-6

Step by Step Solution

3.28 Rating (151 Votes )

There are 3 Steps involved in it

1 Expert Approved Answer
Step: 1 Unlock blur-text-image
Question Has Been Solved by an Expert!

Get step-by-step solutions from verified subject matter experts

Step: 2 Unlock
Step: 3 Unlock

Students Have Also Explored These Related Numerical Methods With Chemical Engineering Applications Questions!