Model - 1

Random Walk
 Random Walk Models

• Diffusion: Motion of a molecule in a solution,

• Simulation of long chain molecule: Polymers

• Simplest case: One dimensional random walk

• Two walkers in one dimension

J=rand;
if J<0.25
x(i+1)=x(i)+1; y(i+1)=y(i);
elseif (J>0.25)&(J<0.5)
x(i+1)=x(i)-1; y(i+1)=y(i);
elseif (J>0.5)&(J<0.75)
x(i+1)=x(i); y(i+1)=y(i)+1;
else
x(i+1)=x(i); y(i+1)=y(i)-1;
end

end
plot(x,y)
 Random Walk and Diffusion

• Diffusion:
• Average of square of distance ~
step number ~ time

< x2 >= Dt
• Law of Diffusion
• D: Diffusion constant
• Mixing of a drop of cream with
coffee, when the size of cup is
changed.
 Self Avoiding Walk
• Walker will not visit the site once visited.
• <x2> increases much more rapidly than simple walk.
• <x2> ~ ta , a = 1.4 (SAW) [a=1 for simple walk]
• Can simulate a polymer: No. possible configuration
governs partition function
 Simple Random Walk
PROGRAM RANDOM_WALKS
IMPLICIT NONE
INTEGER, PARAMETER :: ns = 1000,n = 100
INTEGER :: i,j,x,y,id
REAL :: r,d,d2,temp
!
CALL RANDOM_SEED()
d = 0.0; d2 = 0.0
DO i=1,ns
x = 0; y = 0
DO j = 1,n
CALL RANDOM_NUMBER(r)
id = INT(r*4.0)
SELECT CASE(id)
CASE(0)
x = x + 1
CASE(1)
x = x - 1
CASE(2)
y = y + 1
CASE(3)
y = y - 1
END SELECT
ENDDO
temp = float(x**2+y**2)
d = d + sqrt(temp)
d2 = d2 + temp
ENDDO
d = d/float(ns); d2 = d2/float(ns)
print*,ns,n,d,d2
!
END PROGRAM RANDOM_WALKS
 Non-Reversal Random Walk
SUBROUTINE NRRW
DO i=1,ns
x = 0; y = 0
PROGRAM NR_RANDOM_WALKS !(Sources acknowledged)
xp = x; yp = y
IMPLICIT NONE
INTEGER, PARAMETER :: ns = 1000,n = 100
DO j = 1,N
INTEGER :: i,j,x,y,id,xp,yp,xt,yt xt = x; yt = y
REAL :: r,d,d2,temp test = .FALSE.
LOGICAL :: test DO WHILE(.NOT.test)
! CALL RANDOM_NUMBER(r)
CALL RANDOM_SEED() id = INT(r*4.0)
d = 0.0; d2 = 0.0 IF (id == 0) THEN
CALL NRRW() x = xt + 1; y = yt
d = d/float(ns); d2 = d2/float(ns)
ELSEIF (id == 1) THEN
print*,ns,n,d,d2
! x = xt - 1; y = yt
CONTAINS ELSEIF (id == 2) THEN
y = yt + 1; x = xt
SUBROUTINE NRRW() ELSEIF (id == 3) THEN
y = yt - 1; x = xt
END PROGRAM NR_RANDOM_WALKS ENDIF
IF ((x .NE. xp).OR.(y .NE.yp)) test =.TRUE.
ENDDO
xp = xt; yp = yt
ENDDO
temp = float(x**2+y**2)
d = d + sqrt(temp)
d2 = d2 + temp
ENDDO
END SUBROUTINE NRRW
 Self-avoiding Random Walk
SUBROUTINE SAW
DO i = 1,ns
lattice = 0; !Initialization
x = 0; y = 0
step = 0; terminate = .FALSE.
DO WHILE ((.NOT. terminate) .AND. (step <= n))
xt = x; yt = y
nn = lattice(x+1,y)+lattice(x-1,y) &
+lattice(x,y+1)+lattice(x,y-1)
IF (nn == 4) THEN
terminate = .TRUE.
PROGRAM SELF_AVOIDING_WALKS !Modified by VM ELSE
IMPLICIT NONE newsite = .FALSE.
INTEGER, PARAMETER :: ns = 100,n = 100 DO WHILE (.NOT. newsite)
INTEGER, DIMENSION(-n:n,-n:n) :: lattice CALL RANDOM_NUMBER(r)
INTEGER :: i,x,y,xt,yt,id,step,nn id = INT(r*4.0)
REAL :: r,d,d2,temp IF (id == 0) THEN
LOGICAL :: terminate,newsite x = xt + 1; y = yt
! ELSEIF (id == 1) THEN
CALL RANDOM_SEED() x = xt - 1; y = yt
d = 0.0; d2 = 0.0 ELSEIF (id == 2) THEN
CALL SAW() ! self avoiding walks y = yt + 1; x = xt
d = d/float(ns); d2 = d2/float(ns) ELSEIF (id == 3) THEN
print*,ns,n,d,d2 y = yt - 1; x = xt
ENDIF
CONTAINS IF (lattice(x,y) == 0) newsite = .TRUE.
ENDDO
SUBROUTINE SAW() step = step + 1; lattice(x,y) = 1
ENDIF
END PROGRAM SELF_AVOIDING_WALKS ENDDO
temp = float(x**2+y**2)
d = d + sqrt(temp); d2 = d2 + temp
ENDDO
END SUBROUTINE SAW
!