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Submitted on 1 Jan 1990
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Anomalous diffusion in presence of boundary conditions
A. Giacometti, A. Maritan
To cite this version:
Anomalous
diffusion
in
presence of
boundary
conditions
A. Giacometti
(1)
and A. Maritan(2,
*)
(1)
Dipartimento
di Scienze Ambientali, Universitá di Venezia, CalleLarga
S. Marta, 30124Venezia,
Italy
(2)
Dipartimento
di Fisica dell’Universitá di Bari e I.N.F.N., Sezione di Bari,Italy
(Reçu
le 10juillet
1989,accepté
sousforme définitive
le 14 mars1990)
Abstract. 2014
Anomalous diffusion in presence of a
(fractal) boundary
isinvestigated. Asymptotic
behaviour of the survival
probability
and currentthrough
anabsorbing boundary
areexactly
calculated in
specific examples. They
agree with recentfindings
related with anomalousWarburg
impedance experiments.
The autocorrelation function for sites near theboundary
iscarefully
discussed ; in presence of
reflecting boundary
conditions it can be different from the(spatial)
average of the autocorrelation at variance with the normal diffusion case.Interesting
issues from amethodological point
of view are discussed in the renormalization groupsanalysis. Scaling
arguments are
given relating
various exponents. ClassificationPhysics
Abstracts 05.40 - 82.651. Introduction.
Very
recently
the oldproblem
of diffusionimpedance (Warburg impedance) [1] has regained
much attention in the framework of fractalgeometry
[2-5].
There exists both numerical and
experimental [2]
evidence that thelong
time behaviour of the Faradaic current,J(t),
across a fractalsurface,
scales likewhere ds
is the fractal dimension of the surface. Some heuristic considerations[2-4]
and rathersimple exactly
solvable models[2, 3],
have beensuggested
in order tojustify equation (1).
In reference
[4]
it has been shown that the survivalprobability, PS(t),
of aparticle starting
at random near the
boundary
has the sameasymptotic
behaviour ofJ( t )
and that thea - exponent is related to the surface and bulk
magnetic
exponents
of the Gaussian modelassociated to the diffusion
equation.
One
might
ask whathappens
when a fractal bulk is substituted to the euclidean one.Two differences are to be
expected :
an anomalous diffusion instead of the normal one andthe presence of the fractal
dimension dB
of thebulk,
instead euclidean dimension d.By
means ofgeneral
and exactarguments,
the authors of reference 4 have been able togeneralize equation (1)
to the case when besides fractalboundaries,
a self-similarwaiting
timedistribution is
present
on an Euclidean d-dimensionalbulk,
thusleading
to anomalous diffusion.In this case
is found instead of
equation (1). dw
inequation (2)
is theexponent
governing
thelong
time behaviour of the average squaredistance,
r2
travelledby
a random walker after a timet, i.e.
2 "" t 2/ dw
.Concerning
the behaviour of the survivalprobability Ps(t),
some heuristicarguments
[4]
suggest
that the power lawdecay
is now different from the oneof J(t),
and that is should becharacterized
by
the newexponent
Our aim is three-fold : to
present
exactly
solvable models(two-
and three-dimensionalSierpinski gaskets)
where thescaling
relations obtained in reference[4]
are verified. We thinkit is
always
welcome to haveexamples confirming scaling
laws andindirectly
thearguments
leading
to them. Indeed as mentioned in reference[4]
astraightforward generalization
ofpreexistig
arguments
leading
toequation (1)
[2]
does not lead toequation
(2).
If the
waiting-time
is an effect due to the presence of a self-similar distribution ofsymmetric
transition rates betweenneighbouring
sites then thearguments
of reference[4]
wouldsuggest
in this case
P s(t) ’" J(t) ’" t- a
with agiven by equation
(2).
We willgive
anexample
that thisindeed occurs while other « bulk
properties »
like the average over sites of the autocorrelationfunction and the mean end-to-end distance after a time t behave like in the related
waiting-time
problem.
Last but not least the renormalization group
(R.G.)
analysis
of diffusion in presence ofboundary
conditions is not asimple
modification to be done in thealready existing
cases[7].
A first
example
of it wasgiven
some time ago in reference[6].
In section 2 the one dimensional case will be discussed in order to
exemplify
how theimplementation
of a R.G.analysis
must be done whenboundary
conditions areproperly
treated. An
application
to the Huberman andKerszberg [8]
model of ultradiffusion is done and someasymptotic
behaviours arecompared
with those found for the relatedwaiting-time
problem already
discussed in reference[6].
In section 3 the two- and three-dimensionalSierpinski gasket
is studied where besides anabsorbing boundary
also a hierarchicaldistribution of
waiting
time ispresent.
In a sense our results could be consideredcomplementary
to those of reference[7]
whereboundary
conditions were not taken intoaccount. Section 4 contains
scaling
arguments
and heuristic considerationssupported by
theexact results of
previous
sections.2. 1-D
examples.
2.1 UNIFORM CASE. - Let us start with the
very
simple
andexactly
solvableexample
ofdiffusion on a semi-infinite one-dimensional lattice with an
absorbing
wall at x = 0. It will be shown that of twopossible
choices for the sites to be decimated in order toimplement
aLet
PXo,x(t)
be theprobability
of theparticle
to be at site x after at-step
random walkbeginning
in x = Xo. P’ssatisfy
the discrete time masterequation
where
P,,,@,, = 0 (t)
=0,
for any t, is theboundary
condition andP Xo, x(O)
=5 x, Xo
is the initial condition.We assume in the
following
that .xo =1,
that is theparticle
starts its walk close to theabsorbing
wall.By
introducing
thegenerating
function(discrete Laplace transform)
equation (4)
can be rewritten as :where
In
equation (7)
a x = 1 (lù )
=â ( w )
has been written in order to start with the minimal subset ofparameters
entering
the masterequation (6)
which remains invariant under R.G. recursions.Pathological
roleplayed by x
= 1 infact,
could makea (lù ) =F a (.w )
under R.G. transformations even ifactually
the initial condition for the flowis lX (lù )
=a ( w ).
It iseasy to
see that the choice
a (lù) = 1 + lù
corresponds
to areflecting
barrier at x = 0. The Gaussian model related to thisproblem
is describedby
the reduced HamiltonianIndeed
using
theidentity
one sees
that pxo ’Q x>
satisfies the sameequation
asG Xo,
x (lù)
forh = h
1 = 0.
A R.G. transformation can be obtained
by decimating
the field variables in a subset E of sites andrecasting
the effectiveHamiltonian,
for thesurviving
field variables’P’,
in the form(8a)
with renormalizedparameters
{a
a’, h’,
hÍ}.
If the set of even sites
Eeven
is chosen as subsetE,
thefollowing
recursions fora and a are found :
together
the field variable renormalization cp2 x =NFa
ço’.
R.G. flow in the{a, a}
plane
is shown infigure
1 a ;
theonly
fixedpoint
A =(a *
= 2,
1ii * =1 )
turns out to berepulsive
and it cannot be reachedby
starting
with 1ii = a. For úJ -+0,
the « fixedpoint » (a
* =2,
1ii* =oo)
is reached which does not describe theproblem
of a walkstarting
at .X{) = 1 sinceP Xo = I,x(úJ)
= 2( ’PI ’Px)
= 0 for a = oo!On the
contrary
if the set of odd sitesE.dd (which
includes x =1)
ischosen,
the samerecursion
(9b)
isrecovered,
andinstead of
equation (9a).
R.G. flow in
the {a, a}
plane
is shown infigure
1 b ;
there are two fixedpoints
A =( a
*=
2, «
* =1 ), B = (a * = 2, a * = 2) in
this case, but B is theonly
one that can bereached
by starting
with « _ « i.e. in the case ofabsorbing boundary
condition. The fixedpoint
A is related to the presence of areflecting boundary
at x = 1 since(a ( w ) = 2 + w,
The recursions for themagnetic
fieldsh
1 and h are :whose
eigenvalues
A H
andA HS
are related to the bulkmagnetic
exponent
YH and surfacemagnetic
exponent
YHSthrough
the relation2yi‘
=A
i
(2).
Weget
yH= 3 ,
YHS= 1
at2 2
A and YH
= 3/2 ,
yH - - 1
at B which are the exact ones.2 S 2
Fig.
1. - Flowdiagram
for the recursions(9a, b) (a)
and(9b, c) (b).
The use of recursion
equations
like the ones obtained to derive theasymptotic
scaling
will be done in the next subsection in a moregeneral
model. It is well known that different R.G.schemes can lead to different fixed
points
but toequal
exponents,
that is the samephysics
must be described. However in the first of the two cases
presented
above,
due to the R.G.flow,
one is not allowed to deriveexponents
by
standardscaling
arguments.
We must notice however that as far as the bulkproperties
are concernedonly
the recursion(9b)
isimportant
and it isindependent
of the R.G. schemes we use ! It is worthnoting
that,
in theanalysis
of reference[6],
theright
scheme has been chosen.2.2 HIERARCHICAL TRANSITION PROBABILITIES DISTRIBUTION. - Let
us
apply
what wehave
just
learned to the non-trivial case of the Huberman andKerszberg
model[8] :
the(discrete)
Laplace
transformP Xo,
x( w)
satisfies thefollowing equation
with x -- 1 and
The transition
probabilities
Wx, x +
1 tojump
from site x + 1 to sitex = (2 m + 1 ) 2n =F 1
(m, n
=0, 1, 2,
...)
arerepresenting
aparticle hopping
across barriers(low Wx -
l, x meanshigh
barriers between.x
and x - 1).
In order to take into account
boundary
conditions we chooseindicating
that x = 0 ispartially absorbing
if W 0 orreflecting
if W = 0.By
asimple
redefinition
of P’s
one can fix eo = 1. The model(11),
withoutpaying
attention toboundary
conditions,
was studiedby
approximate
renormalization grouptechniques
in references[8,
9]
and solved
by
an exact R.G. in reference[10].
It exibits a «dynamical phase
transition » at R= Rc
=1 /2
between an anomalous diffusionregime
(R
Rc )
and a normal diffusion one(R > Rc )
[9, 10].
Let us see how the
things
go withboundary
conditions. Also in this case it is morepractical
to work with the related Gaussian model whose Hamiltonian is
The minimal subset of « external field »
parameters
weneed,
which remain invariant underR.G.
recursions,
ishx
=h ( 1-
5 x, 1)
+h
1d X,
I.
The
right
subset of sites to be decimated is E -{x
= 4 m +1,
4 m + 2 : m =0, 1, 2,
...}
and apart from
boundary
effects was the same used in[10].
where H’ has the same form as in
equation
(14)
with thefollowing
renormalized fields andparameters
and in
equation (15)
is constant and therelevant terms for our
applications,
areNow let us discuss what these recursions
imply
as far as theasymptotic
behaviourw -> 0
(i.e. t
-->ao)
is concerned.The fixed
points
of recursionequations (16b, c)
are 0 =(w*, e1-l) =
(o, 0 )
andand the
eigenvalues
of the linearized recursions near them areA1 = 4,
À2=1/(2R)
andA1’ = 2/R,
A2 = 2 R
respectively.
Thus forR
1/2(> 1/2) 0’ (0)
is the stable fixedpoint implying
anasymptotic
behaviour for theaverage end-to-end distance after a
large
time twith
[10]
leading
to the above mentioned« dynamical phase
transition » at R =Rc
=1/2 [9, 10].
Fromequation (15)
the free energydensity
scales likewhere the bar means average over sites.
Using equation (19) at h = hl = 0
and at the stablefixed
point,
one hasimplying
as one should
expect
from standardscaling
arguments.
The fixed
points
of(16d)
are W * = 0 and W * = 1corresponding
to thereflecting
andabsorbing
wall at x = 0respectively.
It iseasy to see that W* = 1 is
always
attractive and thusas far as
W =1=
0 theasymptotic
behaviour is the onecorresponding
to theabsorbing
wall.The
Laplace
transform of theprobability
to be at theboundary starting
from theboundary,
Pl,1
1= (cp 1 cP 1 >,
can be obtaineddifferentiating
thepartition
function twice withrespect
toh1. Recalling
the recursion(15)
and( 16f)
and G fromequation (17)
weget,
at the fixedpoint,
for R
1/2.
If R >1/2 equation (23)
still holds if R is substituted with1/2.
From(23)
onederives the
following asymptotic
behaviourOne can also derives the
asymptotic expression
for theprobability,
FI,
(t),
to be for the first timeagain
at theorigin
x = 1 at time t. SincedW >.
2,
using
asimple
resultreported
e.g. inreference
[ 11 ]
andequation (24a)
or(24b)
one hasFrom recursions
(16e)
and(16f)
onegets
(the procedure
is the same as in theprevious
subsection)
It is easy to see that for
large t
Pl,I (t) ~ t - (1 -
2 yHS/ dW) with the YHsappropriate
to the chosenboundary
condition.It was shown in
[4]
that the current at anabsorbing
boundary
of an initial uniformwhich is
proportional
to the survivalprobability PS ( t)=
.Ix
P 1, x ( t)
of aparticle starting
nearthe
boundary
since in the present case(symmetric hopping probabilities)
Pxo, X
=Px, xo.
Using
equations (26)
and(27)
it is immediate to show thatwhere yHS
is,
of course,given by equation (26c). Equations (28a, b)
confirm what we hadalready
announced in the introductionconcerning
diffusion in presence ofsymmetric hopping
probabilities.
2.3 HIERARCHICAL WAITING TIME DISTRIBUTION. - Let
us now compare the
exponents
obtained above with the ones of a related model where the bulk transition
probabilities
areThis means that at a site
x = (2 m + 1 ) 2n
there is an averagewaiting
time ~ R - n and that thisdistribution is hierarchical in the same sense as the Huberman and
Kerszberg
modelpreviously
studied. At variance with the model of theprevious
subsection(Eq. (13a))
nowsites
represent
wells(low
Wx + l, x
meansdeep
well atx)
and the transition rates are notsymmetric.
This model withboundary
conditions taken into account was studied in full detailin reference
[6] (R
inEq.
(29)
isR-1
in
Ref.[6])
so that wereport
hereonly
the results.Concerning
« bulkproperties »
likex2( t) >
andP Xo, xo (t)
they
behave like theprevious
casewith the same
exponent
dw given by (18).
The «
magnetic
exponent »
yH and yHS are the same as in the uniform case of subsection1 and thus do not coincide with those
given
inequation (26)
in the anomalous diffusionregime
R
1/2. Concerning
theasymptotic
behaviour of the correlations introduced abovethey
areEquations (32a)
and(32b)
lead to theexponents
(2)
and(3) respectively
for the 1-D case.We believe these two last
examples
are instructive at least for two reasons :i)
inspite
ofhaving
the same « bulkproperties »
that could also be obtainableby
heuristic arguments of references[7]
and[6] they
havecompletely
different « surfaceproperties
». We would like toremark that such a difference was
already partially guessed
on the basis of numericalsimulations
by
Havlin and Ben-Avrahan[12]
but neverexplained. ii)
Renormalization grouptechniques
we haveapplied, explicitly
exhibits the care that must bepayed
to theboundary
conditions. This is uncommonexpecially
because most of the subtleties related to an exact3.
Sierpinski gaskets
withboundary
conditions.Let us consider now an
example
of diffusion on a fractal structure. With reference tofigure
2,
consider a 2-dimensional
Sierpinski gasket
with a sideaA
acting
like aperfecting absorbing
surface. We assume that the
particle
could start the walk in each of the sitebelonging
toaA =
{.xo: Iy-xol = 1, ye aA}
withequal probability.
If A is the
bulk,
defineEm
as the set of sites xbelonging
toA,
such that x is a vertex of am-th order
triangle
(m
=0, 1, 2,... ) ;
a hierarchical distributionof waiting
times is obtainedby assigning
aprobability
qx =T m
to jump
when theparticle
is one a site xbelonging
toEm [7].
Thus Tm is thewaiting
time on sites ofEm.
It can be further assumedTo = 1
by
a properrescaling
of w.The fractal dimension of the bulk is
dB
= ln 3/In
2 and the masterequation
is such a caseis :
where,
asusual, E
means sum over allnearest-neighbour
of x whose number isy(X>
In our model :
Fig.
2. -Subset of an infinite
Sierpinski gasket.
Thewaiting
times related to somerepresentative
sitewhere z =
4,
2 before the first decimation isperformed, corresponding
toabsorbing
andreflecting boundary
conditionsrespectively.
The
probability
ofbeing trapped
in 3A,
after at-step
walk,
Q (t),
satisfies :as it can be inferred
by using
the constraint of conservation of the totalprobability. By
meansof
(5)
and our définition of the initialconditions,
weget
from(33) :
where
1 aA
1
is the number of sites on the surface and8 x. aA
is 1 if x e 6A and zero otherwise.As we learnt from the one dimensional case the decimation
procedure
consists of theelimination of the whole set
Eo, including
atl,
in favour ofEm (m
>0 ) ;
the wholesystem
isthereby
scaledby
a factor 2. This leads to newexpression G x,, ax,
«’ in terms ofAfter some
manipulations
the recursionequations,
in the limit w -->0,
are :where
The recursions for w and
Tn’s
are obtainedby imposing Ti
= 1 while the ones forT and z are derived from the recursion for à
by requiring
j’ =z’ (1
+ w’T’ ).
It is
important
to stress that the G’s renormalization is determinedby
theinhomogeneous
term in
equation (36)
which,
for the renormalizedproblem,
mustbe dx, aA’
( x
inEq. (38a)
1 6A
xhas the same functional
dependence
on{ T’ }
and w’ asG x
has in terms of the unrenormalizedcounterparts).
The fixed
points
of the recursions(38b-e)
are :The fixed
point
reachedby
f under recursions iswhere
We have used
that,
since(az’ /az)z*
= 2 =10/3
and(8z’Iaz)z.
= 13/3 =
3/10,
z* =13/3
is thestable fixed
point
and it is reachedstarting
with the initial condition z = 4. z * = 2corresponds
to
reflecting boundary
conditions and it is unstable as usual.If
Rn
= R recursionequations (38b-d) imply
that the stable fixedpoint describing
theasymptotic
behaviour w - 0 isT1*
= Max( l, R - 2 ),
where the maximumeigenvalue
of thematrix associated to the linearized recursion
gives
the diffusionexponent
defined
through
thescaling
lawrl(t) - t’l dw
of the average square distance travelledby
theparticle
after along
time t.As
expected
a «dynamical phase
transition » atRc
= 3[9,
10,
7]
arises,
separating
the normal and anomalousregime.
In the
following
we will calldwO)
the diffusion exponent inequation
(42)
whenR
Rc.
The result
(42)
hasalready
beengiven by
Robillard andTremblay [7].
Wepoint
out, however that neitherboundary
conditions normagnetic
exponents
have been discussed intheir work.
In view of the fixed
points quoted
above,
it isstraightforward
to derive thelong
timewhere
Q
is the discreteLaplace
transform ofQ
andwhich
satisfies,
by using
the recursionequations (38a, b)
at the fixedpoint :
Equations (43), (45), (35)
and the recursion(38b)
at T =71 *
lead to thefollowing asymptotic
behaviour of the survival
probability
and autocorrelation functionwhere
which agrees with the
prediction (3),
since in thiscase ds
= 1 and the normal diffusionexponent
in thepresent
case isdw(°)
and not 2 as was the caseequation (3)
refers to(in
order toobtain
Eq. (46b), Eq. (35)
has beenused).
In order to
compute
magnetic
exponents,
we write down the Gaussian model associated tothe
equation (36),
i.e.A decimation of
Eo
similar to the oneperformed
in the one-dimensional case,yields
theprevious
recursions and a newcouple
of recursionequations involving
h andh 1.
In the limitw - 0 and at the fixed
point,
these latter turn out to be :independent
of T * ! !. Thus bulk and surfacemagnetic
exponents
arewhich can be
thought
asgeneralization
of the standard Euclidean case[4].
As shown in reference
[4]
the currentarriving
at theabsorbing
wall forinitially
uniformand
using equation
(50a, b)
which
generalizes equation (1)
to thepresent
case.In the
reflecting boundary
condition case one findsconfirming
a naivescaling
argument
according
to which the sumof yHS’s corresponding
to thereflecting
andabsorbing boundary
conditions isequal
to the fractal dimension of theboundary (see
nextsection).
At least we want to check our result in the three dimensional
Sierpinski gasket.
This timethe surface is fractal and it is the two dimensional
Sierpinski gasket
of theprevious example,
i.e.ds
=ln 3 .
Rather tedious calculations follow the sameprocedure
as the two dimensionalIn 2
case.
Instead of
(42)
we have(see
also Ref.[7]).
and the
« dynamical phase
transition » occurs atRc
= 4.Equation (47)
is substitutedby
while
equations (50)
and(51)
retain their form.In this case it is found z* =
13/2.
4.
Scaling
arguments
and conclusions.The exact
asymptotic
behaviours obtained in theprevious
sectionstogether
the results contained in references[4,
6],
help
us to formulate naivescaling
arguments
whichmight
hold ingeneral.
The
singular
part
of surface free energydensity
of the Gaussianmodels,
associated to the diffusionproblems
studiedabove,
scales likeunder a
spatial
rescaling
l.
In all cases we havestudied (Qx Q Xo)
=A x fi Xo,
x(w)
whereAx
does notdepend
on x for the barrier case(see,
e.g., Sect.2.2) ;
for the wells case,Ax depends
on xexcept
when x E âA. Fromequation (53)
we thus have that theLaplace
for
small w,
implying
thefollowing large t
behaviouryHS at variance with
respect
to yH, willdepend
on theboundary
conditions.Given the
asymptotic
law(54b)
asimple
theorem(see
e.g.[11])
states that theasymptotic
behaviour of the first retum
probability, F6A,
will beIt is crucial to observe
that,
by
definition,
F6A
cannotdepend
on theboundary
conditionsand thus the
scaling
laws inequation (55)
must coincide for theabsorbing
andreflecting
cases(we
willdistinguish
the two cases with thesuperscripts
a and r,respectively).
This
implies
thatSince
x (r)
x(a)
we havex (r)
1,
x(a)
> 1 andp (a) ~
F6A
For hierarchical distributions of
symmetric
transition rates(see
e.g.subsect. 2.2)
with asimple
redefinition of the time scale one has that theparticle
moves at each timestep.
If aftera
t-step
walk theparticle
visits(almost) uniformly
aregion
of linearsize e (t) - t’l dw,
then weshould have
implying
i.e. the same behaviour we would
get
if aA were a(fractal)
subset in the bulk.The
exponent
yH can be determinedby
observing
that the zero field bulksusceptibility
mustbehave like
Now it is easy to see that
equation
(28a)
holds withto be
compared
withequation
(2).
The case of hierarchical distribution of
waiting
times(equal probability
tojump
from a siteto any of its
neighbours
like in Subsect. 2c and Sect.3)
wasalready
considered in reference[4]
for diffusion on a
regular
d-dimensional lattice. Thearguments
given
there areeasily
generalized
to a fractal bulk. Indeed if renormalization transformations areanalytic
in aneighbour
of w = 0 then theexponents
YH and yHS are the same as in the case without
waiting
time. In theexample
of section 3 if w = 0 the Hamiltonian(48)
becomesindependent
of{qx}
(see Eq. (37b))
and thus the recursions for the bulk and surface field h andAj
are the same as in absence ofwaiting times !
Thus
using
the results of theprevious
case weget
where
dw(o)
is the diffusionexponent
in absence ofwaiting
times.Proceeding
as in reference[4]
weeasily
get
thedecay
exponents
for current and survival
probability, respectively.
In the
examples
considered here thewaiting
times on theboundary
do notdepend
on thesite and
equation (54b)
holdsimplying
All the exponents found in the
previous
sectionsby
an exact R.G.analysis
agree with thecorresponding
onesheuristically
derived here. Inparticular
we wish to stress theindepend-ence of
yHS(a)
from the surface fractal dimension aspredicted already
in reference[4]
and therelations
(60)
and(63)
relating
theasymptotic
behaviours of the average autocorrelation function and of the survivalprobability.
We should mention that
recently adsorption
ofself-avoiding
walks have been studied inreference
[13]
on the sameSierpinski gasket
used here.It would be
extremely interesting
tostudy
the case of the ideal chainadsorption,
i.e. theproblem
of reference[13]
without the self-avoidanceconstraint,
on self-similar structures withcoordination is
uniform,
and ingeneral
canpresent
ratherunexpected surprises,
at least ondeterministic self-similar structures
[14].
Acknowledgment.
We wish to thank Attilio Stella for discussions and for a critical
reading
of themanuscript.
Wethank also the referee whose criticism stimulated the
scaling
arguments
of section 4.References