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%Zeynep DERELIOGLU
%Sebastin ECHEVERRI RESTREPO
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clear all
clc
close
W=100;% total length (um)
d=0.1;% length interval (um)grid size
z= (0:d:W);% slice boundaries
m=size(z,2);% number of slice boundaries
V_m=2.43e13;% molar volume of the Mo(Si1.2,Al0.8) alloy (um3/mol)
V_ox=2.55e13;% molar volume of the aluminum oxide (um3/mol)
kox=1.3e-5;%parabolic rate constant (um2/s)
Rg=8.31;%gas constatnt(J/molK)
T=1473;%temperature(K)
y=2;% number of moles of the oxidized element in the oxide (MyOz, in this case A
l2O3)
% node points
z_node=(z(2:m)+z(1:(m-1)))/2;
% distance between node points (um)
z_delta=z(2:m)-z(1:m-1);
% molar fractions in the alloy
x_al=0.033;
x_si=0.63;
x_mo=1-x_al-x_si;
% N mol fraction values
N_fraction(1,1:m-1)=x_al;
N_fraction(2,1:m-1)=x_si;
N_fraction(3,1:m-1)=x_mo;
% number of moles in each slide
n_number(1,:)=N_fraction(1,:).*z_delta/V_m; % for Al
n_number(2,:)=N_fraction(2,:).*z_delta/V_m; % for Si
n_number(3,:)=N_fraction(3,:).*z_delta/V_m; % for Mo
% chemical potentials
mu_0(1,1:m-1)=-2.21e+05; % for Al
mu_0(2,1:m-1)=-1.69e+03; % for Si
mu_0(3,1:m-1)=-2.51e+04; % for Mo
% mobility values of the constituenst calculated with M=Dexp(-Q/RT)
M_al=6.48e13;
M_si=2.08e14;
M_mo=9.09e13;
% effctive mobilities. The equation is Mob=f*M (phase fraction*mobility)
% since we're working in single phase conditions, f=1
Mob(1,1:m-1)=1.*M_al;
Mob(2,1:m-1)=1.*M_si;
Mob(3,1:m-1)=1.*M_mo;
% fluxes in each slide (mol/um2s)
Jflux(1,m)=0; % for Al
Jflux(2,m)=0; % for Si
Jflux(3,m)=0; % for Mo

% time in seconds
dt=0.00000000000000000000001;
tmax=0.0000000000000000036;
% start point for the loop. 'aux1' doesnt have any specific meaning. used
% just to generate the loop
aux1=1;
for t=0:dt:tmax;
% change in oxide scale thickness d_ox
delta_dox=sqrt(kox)*(sqrt(t+dt)-sqrt(t));
% Fluxes for the first slice boundary, which is the O/M interface
Jflux(1,1)= -(y/V_ox)*(delta_dox/dt)+(N_fraction(1,1)/V_m); % Al flux across
the O/M interface
Jflux(2,1)= (N_fraction(2,1)/V_m); % Si flux diffuse away from the O/M inter
face
Jflux(3,1)= (N_fraction(3,1)/V_m); % Mo flux diffuse away from the O/M inter
face
% change in chemical potential
mu=mu_0+Rg*T*log(N_fraction);
% fluxes in each slides (except the first and the last boundaries)
Jflux(1,2:m-1)=(-Rg*T/V_m)*(sqrt(Mob(1,2:m-1).*N_fraction(1,2:m-1).*Mob(1,1:
m-2).*N_fraction(1,1:m-2))/(z_node(2:m-1)-z_node(1:m-2))).*2*sinh((mu(1,2:m-1)-m
u(1,1:m-2))/(2*Rg*T));
Jflux(2,2:m-1)=(-Rg*T/V_m)*(sqrt(Mob(2,2:m-1).*N_fraction(2,2:m-1).*Mob(2,1:
m-2).*N_fraction(2,1:m-2))/(z_node(2:m-1)-z_node(1:m-2))).*2*sinh((mu(2,2:m-1)-m
u(2,1:m-2))/(2*Rg*T));
Jflux(3,2:m-1)=(-Rg*T/V_m)*(sqrt(Mob(3,2:m-1).*N_fraction(3,2:m-1).*Mob(3,1:
m-2).*N_fraction(3,1:m-2))/(z_node(2:m-1)-z_node(1:m-2))).*2*sinh((mu(3,2:m-1)-m
u(3,1:m-2))/(2*Rg*T));
% number of moles in each slide
n_number(1,:)=n_number(1,:)+dt*(Jflux(1,1:m-1)-Jflux(1,2:m));
n_number(2,:)=n_number(2,:)+dt*(Jflux(2,1:m-1)-Jflux(2,2:m));
n_number(3,:)=n_number(3,:)+dt*(Jflux(3,1:m-1)-Jflux(3,2:m));
% total number of moles in all the slides
n_numbertot=sum(n_number);
% average mol fractions in a slice
N_fraction(1,:)=n_number(1,:)./n_numbertot;
N_fraction(2,:)=n_number(2,:)./n_numbertot;
N_fraction(3,:)=n_number(3,:)./n_numbertot;
% change in the distance between node points according to the change in
% total number of moles
z_delta(1)=V_m*n_numbertot(1); % for the first slide
z_delta=V_m*n_numbertot; % for the rest of the slides
% count is just a word -doesnt have any meaning
for count=2:1:m
z(count)=z(count-1)+z_delta(count-1);
end
z_node=(z(2:m)+z(1:(m-1)))/2;

%some quantities to plot

%time vs flux of aluminum through the OM boundary
aux1=aux1+1;
end
plot(z_node,N_fraction)