In [ ]:

    

from vpython import *
from random import random

scene.width = 600
scene.height = 600
scene.range = 2.4

# Bruce Sherwood

N = 3 # N by N by N array of atoms
k = 1
m = 1
spacing = 1
atom_radius = 0.3*spacing
L0 = spacing-1.8*atom_radius
V0 = pi*(0.5*atom_radius)**2*L0 # initial volume of spring
scene.center = 0.5*(N-1)*vector(1,1,1)
dt = 0.04*(2*pi*sqrt(m/k))
axes = [vector(1,0,0), vector(0,1,0), vector(0,0,1)]

scene.caption = """A model of a solid represented as atoms connected by interatomic bonds.

Right button drag or Ctrl-drag to rotate "camera" to view scene.
To zoom, drag with middle button or Alt/Option depressed, or use scroll wheel.
  On a two-button mouse, middle is left + right.
Touch screen: pinch/extend to zoom, swipe or two-finger rotate."""

class crystal:

    def atomAt(self, np):
        if (np.x>=0 and np.y>=0 and np.z>=0 and np.x<N and np.y<N and np.z<N):
            return self.atoms[int(np.x + np.y*N + np.z*N*N)]
        # Otherwise create an invisible wall and return it
        w = box()
        w.visible = False  # comment out to see the true model
        w.radius = atom_radius
        w.pos = np*spacing
        w.momentum = vector(0,0,0)
        return w
        
    def __init__(self,  N, atom_radius, spacing, momentumRange ):
        self.atoms = []
        self.springs = []

        # Create N^3 atoms in a grid
        for z in range(N):
            for y in range(N):
                for x in range(N):
                    atom = sphere()
                    atom.pos = vector(x,y,z)*spacing
                    atom.radius = atom_radius
                    atom.color = vector(0,0.58,0.69)
                    # vec.random() available in GlowScript but not in classic VPython
                    px = 2*random()-1 # ranges from -1 to +1
                    py = 2*random()-1
                    pz = 2*random()-1
                    atom.momentum = momentumRange*vector(px,py,pz)
                    self.atoms.append( atom )
       
        # Create a grid of springs linking each atom to the adjacent atoms
        # in each dimension, or to invisible walls where no atom is adjacent
        for d in range(3):
            for z in range(-1,N):
                for y in range(-1,N):
                    for x in range(-1,N):
                        atom = self.atomAt(vector(x,y,z))
                        neighbor = self.atomAt(vector(x,y,z)+axes[d])
                        if (atom.visible or neighbor.visible):
                            spring = helix()
                            spring.visible = atom.visible and neighbor.visible
                            spring.thickness = 0.05
                            spring.radius = 0.5*atom_radius
                            spring.length = spacing
                            spring.up = vector(1,1,1) # prevent fibrillation of vertical springs
                            spring.atoms = [ atom, neighbor ]
                            spring.color = vector(1,0.5,0)
                            self.springs.append(spring)

c = crystal(N, atom_radius, spacing, 0.1*spacing*sqrt(k/m))

while True:
    rate(60)
    for atom in c.atoms:
        atom.pos = atom.pos + atom.momentum/m*dt
    for spring in c.springs:
        spring.axis = spring.atoms[1].pos - spring.atoms[0].pos
        L = mag(spring.axis)
        spring.axis = spring.axis.norm()
        spring.pos = spring.atoms[0].pos+0.5*atom_radius*spring.axis
        Ls = L-1*atom_radius
        spring.length = Ls
        Fdt = spring.axis * (k*dt * (1-spacing/L))
        spring.atoms[0].momentum = spring.atoms[0].momentum + Fdt
        spring.atoms[1].momentum = spring.atoms[1].momentum - Fdt


    

In [ ]:

    




    

In [ ]: