Question: Given Answer in Python Code: Pls given full answer not code outline or guide. Investigate the difference in the time dependent autocorrelation function of velocities,

Given Answer in Python Code: Pls given full answer not code outline or guide. Investigate the difference in the time dependent autocorrelation function of velocities, (t), of 3 Lennard-Jones systems with N=32 with periodic boundary conditions at 3 densities. The system are initiated with the atoms placed in the sites of a face-centered-cubic (fcc) lattice consistent with a=1.59, a=1.7, a=1.8. The temperature to equilibrate the systems will be around T=0.7. Follow the same requirements as the image concerning the system parameters. Consider the system of homework 4 with N=32 atoms interacting via the Lennard-Jones
potential with mass ===1, and Boltzmann's constant kB=1. The potential energy of the
system is:
U=4i=131j>i32(1r12-1r6)
Generate the positions of 32 atoms in a cubic box accommodated in fcc sites by creating
a new short code that enables to have a computationally generated file with such
positions. For that, the fcc unit cell (contains the position of 4 atoms) needs to be
translated twice in each direction x,y,z(in 3D). Unit cell coordinates for the 4 atoms with
a=1.65 are:
([x1],[y1],[z2])=([0.0],[0.0],[0.0]),([x2],[y2],[z2])=([0.5a],[0.5a],[0.0]),([x3],[y3],[z3])=([0.0],[0.5a],[0.5a]),([x4],[y4],[z4])=([0.5a],[0.0],[0.5a])
Note that the 32 atoms will be inside a cubic box with edge length L=2a.
The coordinates of the 32 atoms are obtained in (1) and will be the initial positions for
an MD simulation. Generate with normally distributed random numbers the initial
velocities (vx,vy,vz) for each of the 32 atom. These velocities should be consistent with a
temperature T=0.3. See subroutine "Init" of Fortran code added to the online materials
of February 20.
With (1) and (2) the initial conditions are set. In your MD computer implementation
impose periodic boundary conditions using the minimum image convention, a cut-off
distance r cut=1.64, and shift the potential (review lecture of February 13th, part2). Do a
MD simulation for 50,000 steps, collecting production results over the last 25,000 and
calculate Kin : and corresponding standard deviations. Visualize where the
particles of your final system are located in 3-D (use any of these modelers Avogadro,
VMD, Chimera, Ovito). Include the atomic picture in your report and compare it with a
picture of the system with atoms located in initial fcc positions.
Given Answer in Python Code: Pls given full

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