NEHA SINGH (2015MEM2785)

% question 1
clc;
close all;
clear all;
r=[3:0.001:10];% r is the inter atomic distance in angstroms
ro=3.84;%equlibrium distance between two atoms
eb=10.4*10^-3;% binding energy
a=2*10.4*10^-3*3.84^6;
b=10.4*10^-3*3.84^12;
PHY=(-a./r.^6)+(b./r.^12);
force=(6*a./r.^7)-(12*b./r.^13)
plot(r,PHY)
grid on
xlabel('inter atomic distance in angstroms')
ylabel('vander waals potential function')
title('variation of vandar waals potential with inter atomic distance')
figure()
plot(r,force)
grid on
xlabel('inter atomic distance in angstroms')
ylabel('inter atomic force')
title('variation of inter atomic force with inter atomic distance')

close all;
clear all;
r=[3:0.01:10];% r is the inter atomic distance in angstroms
ro=3.84;%equlibrium distance between two atoms
eb=10.4*10^-3;% binding energy
Fext=0.8*10^-3
Fext1=1.1*10^-3
Fext2=1.5*10^-3
a=2*10.4*10^-3*3.84^6;
b=10.4*10^-3*3.84^12;
PHY=(-a./r.^6)+(b./r.^12);
phynew=PHY-(r*Fext)
phynew1=PHY-(r*Fext1)
phynew2=PHY-(r*Fext2)
plot(r,PHY,r,phynew)
figure()
plot(r,PHY,r,phynew,r,phynew1,r,phynew2)
legend('PHY','Phynew','phynew1','phynew2')

close all;

clear all;
x=[-15:1:15];
ro=3.84;%equlibrium distance between two atoms
eb=10.4*10^-3;% binding energy
K=72*eb/ro*2;
potential=0.5*K*x.^2;
plot(x,potential)
xlabel('inter atomic distance in angstroms')
ylabel('potential function')

%question2
Fext=0:0.1e-12:13e-12;
ro=3.84
Eb=10.4*10^-3;
K=72*Eb/ro*2; % Equivalent spring stiffness at r0
u=Fext/1.6e-9/K; % Displacement from Equilibrium position
F=2.6893*Eb/ro*1.6e-9;
U=F/1.6e-9/K;
figure
plot(Fext,u,F,U,'O')
xlabel('External force F_{ext} (N)')
ylabel('Displacement from Equilibrium position u (A)')
title('u vs F_{ext}')
legend('Linear Region','Limiting Cutoff point')