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Linear theory of dislocations in a smetic A
M. Kléman
To cite this version:
M. Kléman. Linear theory of dislocations in a smetic A. Journal de Physique, 1974, 35 (7-8), pp.595-
600. �10.1051/jphys:01974003507-8059500�. �jpa-00208186�
LINEAR THEORY OF DISLOCATIONS IN A SMETIC A
M.
KLÉMAN
Laboratoire de
Physique
desSolides,
UniversitéParis-Sud,
91405Orsay,
France(Reçu
le 4février 1974,
révisé le 4 mars1974)
Résumé. 2014 On décrit l’état de distorsion d’un
smectique
àpartir
de la structure de référenceplanaire
par un vecteurdéplacement
de couches u(et
les contraintes associées03C3ij),
ou par la rotation du directeur enchaque point
03C9(et
lescouples associés).
Enprincipe,
le choix de la variable indé-pendante
03C9est justifié
dans l’étude des dislocations de rotation, celui de u dans l’étude des dislocations de translation. Dans le cas de cesdernières,
et s’en tenant auxpetites déformations,
on étend diffé- rents résultats établis en théorie des dislocations dans les solides au cas dessmectiques.
En introdui-sant le
champ
de contraintes dû à une force unité localisée(fonction
deGreen),
onexprime
lechamp de déplacements
d’uneligne
comme uneintégrale
desurface,
la tension deligne
etl’énergie
d’inter-action avec d’autres
lignes
sous formed’intégrales
deligne.
Enparticulier,
on montre que deux segments deligne perpendiculaires
n’ont pasd’énergie d’interaction,
on établit lechamp
dedépla-
cement d’une boucle
coin,
on obtient la fonction de Green d’un échantillonhoméotrope
ayant un bord libre et un bordancré,
on introduit la méthode des forcesimages.
Abstract. 2014 The distortions of a smectic
phase
with respect to aplanar
state of reference aredescribed either
by
adisplacement
u of thelayers (and
theconjugated
stresses03C3ij),
orby
a rotation 03C9of the director
(and
theconjugated torques).
Inprinciple,
the choice of 03C9 as anindependent
variableis
justified
for thestudy
ofdisclinations,
and the choice of u for thestudy
of dislocations of trans- lation. In this latter case, andrestricting
thetheory
to smalldistortions,
one extends various results in dislocationtheory
in solids to the case of smectics. With thehelp
of the stress field due to an unitpoint
force(Green’s function),
one is able to express thedisplacement
field of a line as a surfaceintegral,
the line tension and the interaction energy with other lines as lineintegrals.
Inparticular,
one shows as a result that two
mutually perpendicular
line segments do not interact; one establishes thedisplacement
field of anedge loop ;
one obtains the Green’s function of ahomeotropic sample
with one free
boundary
and one anchoredboundary;
the forceimage
method is also introduced.Classification
Physics Abstracts
7.130 - 7.166
1. Introduction. - Smectics are characterized in their
ground
stateby
astacking
ofplane layers
ofconstant thickness d
[1].
In smecticsA,
theselayers
consist of molecules
perpendicular
to thelayer plane
and
distributed
at random. Thisconfiguration explains
the well-known elastic
properties
of smecticsA,
intermediate between those of nematics and crys- talline solids :they
act as fluids for any translation of the molecules(or
of thelayers) parallel
to thelayers,
butrespond
like solids to any stress perpen- dicular to thelayers.
Thiselasticity
has beengiven
atheoretical
description by
Martin et al.[2],
where theequations
are set up for any small deformation withrespect
to theground
state; the deformation is describedby
a continuous scalar variableu(r, t)
which measures the
displacement
of thelayer along
the normal Oz. The molecules
stay perpendicular
to the
layers
in any deformation.Permeation,
i. e.the activated process
by
which molecules canjump
from one
layer
to another[3],
is not taken into account.Hence the director
n(r, t),
which is the unit vectoralong
themolecules,
does not appear as anindepen-
dent
parameter
variable.In the frame of such a
theory,
to any virtual dis-placement
of the scalaru(r, t),
viz.bu(r, t) corresponds
a
generalized
scalar force Y such that the variation in the total free energy readsIt may be more convenient for the
application
tosome
particular problems
to introduce a set of varia-bles for which the
conjugated
forces have a moredirect and intuitive
meaning ;
this iscertainly
thecase if one wants to deal with dislocations in
smectics,
and take
advantage
of theconceptual
frame which has been worked out for dislocations in solidcrystals (see,
forexample, [4], Chap. II).
We have therefore re-established thetheory
ofelasticity
of smecticsArticle published online by EDP Sciences and available at http://dx.doi.org/10.1051/jphys:01974003507-8059500
596
A
using
as a variable a vectorialdisplacement
u.The
corresponding
forces(conjugated
to theui,j)
are stresses. The director n is also an
interesting independent
variable : to its variation would corres-pond
the work of torques, whose considerationmight
be useful in order to describe the elastic effects of disclinations.We therefore first establish in this article the elastic
theory
of smectics in terms oflayer displacements
and
directors, torques
and stresses. Since we restrictto the case of
elastostatics,
we shall assume that thedirectors are
perpendicular
to thelayers,
which intro-duces a constraint in the form of a
Lagrange
multi-plier.
Permeation is not taken into account. Theseconcepts
will afterwards beapplied
to thetheory
of dislocations.
2.
Torques
and stresses in a distorted smectic A. - We start from a free energydensity [5]
where K is the Frank-Oseen elastic constant relative to
splay [6]
and BYoung’s
modulus. u is theprojec-
tion of the
displacement
u on nWe take into account the action of an
applied
field Hby introducing
the third term. The condition ofperpendicularity
of n + ôn to thedisplaced layer
reads :
where
is the small rotation suffered
by
n when the moleculemoves
by
a distance bu.Eq. (3)
therefore reads :and we take into account this condition
by
intro-ducing
aLagrangian multiplier
Jlk.Another condition comes from the
liquid-like
behaviour of the molecules inside the
layers.
Thiscan be written as a
Lagrange condition,
which expres-ses the fact that the
component
of thedisplacement parallel
to thelayers corresponds
to anincompressible
deformation :
where p is the
corresponding Lagrange multiplier.
Instead of the
torques corresponding
to w, weuse the so-called molecular field h introduced
by
deGennes
[7]
andconjugated
to bn. Thedevelopment
now follows that
already proposed by
Ericksen[8].
The virtual variation of the total energy reads
where we have
separated
in the usual mannerbody
forces and surface forces. The notations are the
following
À is a
Lagrange multiplier taking
into account thecondition
n’ =
1.The
equilibrium equations
readThe
algebra
makes use of thefollowing points :
the
Lagrange multipliers
,uk are obtained from eq.(7)
and substituted in the
expression
ofuij.
We aretherefore left with 3
equations
ofequilibrium (eq. (6)),
for 6 unknowns
(p,
2angular
variables for n, andu).
We also must
satisfy
eq.(5)
and the condition ofexistence of surfaces normal to n.
(Eq. (3), equivalent
to two
independent conditions).
Since theonly phy-
sical
component
of u isalong
n, wesatisfy
eq.(5) by letting
u = un. Weget finally
thefollowing
result :The
problem simplifies greatly
if wespecialize
tothe case in which eq.
(6)
is linear withrespect
to u and its derivatives.Remembering
we must find asolution in which the
only independent
variable is u,we first express n as a function of u and its derivatives.
The
equation
expresses the fact that n is normal to the distorted
layers
z == z, +u(r)
and satisfiesn’ = 1,
n. curl n = 0
( 1 ) ;
with such a value of n, it can beshown
that p
can be takenequal
to zero ; theonly components
of(lij
which arenon-vanishing
aretherefore 611, 621, 631. and eq.
(6)
reduces toonly
one
equation
for the variable uwith the
following
definitionIt is in the framework defined
by
eq.(9)
that wedevelop
thetheory
of dislocations in thefollowing paragraphs.
3. Dislocation
theory.
- The essential reasonwhy
we can
apply
most of the theorems of dislocationtheory
is that we limit ourselves to the case where eq.(9)
is linear in u. Thisimplies immediately
thatthe
superposition principle
holds true.Hence the distinction between internal stresses and
applied
stresses is useful. Internal stresses arethose due to an internal defect with
boundary
condi-tions similar to those in the
free
medium. Theseboundary
conditions can concem either the surface forces(J ij dSi
or thedisplacements
ui, or the surfacetorques Bijk
7tli nkdSl. Applied
stresses aregenerally
due to
imposed
forces on the boundaries. For anygiven sample,
the distinction we make will be valid if there is no interaction energy between these twokinds of stresses ; we
consider
this assertion aspart
of the definition of internal and external stresses, since we have here to be more cautious than in thecase of
solids,
because of the presence ofpossible
surface
torques.
Consider an unit force directed
along
the z direc-tion,
to which the medium issubjected
at ro. Itgives
rise at any
point
r to adisplacement
fieldU(ro/r)
which
obeys
theequation
In an infinite
medium,
the solution of eq.(10)
in terms of a Fourier
expansion
isstraight
forward.If we assume that there are no
applied fields,
weget explicitly
U(ro/r)
is atypical
Green’sfunction,
even in r-ro.The
corresponding
stresses constituteevidently
aset of
applied
stresses. Such a Green’s function also exists in a finite medium. The formulae we are nowderiving
assumeonly
that the Green’s functioncan be chosen in such a way that the
corresponding
stresses are
applied
stresses, and these formulae are then valid in any medium.Let us introduce the stress fields
li3(r/r’)
of apoint
source in r, and consider a line of dislocationL, Burgers’
vectordj.
Since there is no interaction energy, the worku(r)
x 1performed by
thepoint
force when the line L is introduced
(giving
rise to adisplacement u(r))
isequal
andopposite
to the workof the stresses
e i3
on the cut surface(cf.
forexample [9], Chap.
IV or[4], Chap. II);
hence :which reduces to, since
3.1 STRAIGHT SCREW DISLOCATION IN AN INFINITE MEDIUM. - Assume the line to be located
along
thez-axis,
and selectthe y -
z halfplane (y
>0)
asthe cut surface.
(13)
reduces toIntegrating
first withrespect
to z’ leads to(1)
n curl n = 0 is the scalar condition which expresses the fact that the lines of force of n form a congruence of normals. This condition replaces eq. (3), which expresses the same property in the hypothesis that u and n are independent variables.598
The
integration proceeds
with thechange
of variablesUsing
the relationwhere
Ji(t)
is a Besselfunction,
we findand
finally,
sincewhere §
is thepolar angle
of r in aplane perpendicular
to z.
Eq. (14)
could of course have been inferreddirectly.
3.2 STRAIGHT EDGE DISLOCATION IN AN INFINITE MEDIUM. - The calculation uses eq.
(13)
whereonly
an
integration
in the x-yplane
is necessary. We obtain de Gennes’ result[10]
3 . 3 CIRCULAR PRISMATIC LOOP. - The same pro-
cess of
integration
on a circle of radius R in theplane
z = 0 leads to
where
3.4 SELF-ENERGY AND INTERACTION ENERGY. - Let
us consider two
loops
L andL’, Burgers’
vectors dand d’. The interaction energy can be calculated
according
to a formula well-known in dislocationtheory
as a surfaceintegral
over one of theloops
where
ori3,
forinstance,
are the stresses createdon SL by
theloop L’. SL
is any surface boundedby
L. Theintegration
does notdepend
indeed onSL,
sincea’ i3
is
divergence-free.
A similar formula has to be used for a
self-energy,
but with a
factor 2
Since these formulae do not
depend
onSL,
butonly
onL,
it ispossible
to reduce them to line inte-grals.
Such aprocedure
hasalready
been used in dislocationtheory by
Blin[11]
and Krôner[12]
inthe case of
isotropic elasticity. Obviously
it is alsopossible
to transform eq.(13)
to a lineintegral, and
such an effort has also been
already
made in disloca-tion
theory.
In this latter case, adifficulty
arises fromthe fact that the
displacement
is a discontinuous function on the cutsurface,
whereas a lineintegral
isnot
(cf. [13],
p.64).
We have notattempted
here toderive line
integrals
for eq.(15).
But it appears thattrying
toget
such lineintegrals
in the evaluation of theenergies
lead to a verysimple
andinterpretable
result.
Let us introduce the
operators
ofdifferentiation
We therefore from now on write
and, using
eq.(13)
With
thisnotation,
the interaction energy readsand the self energy
where SL = SL,
in eq.(22).
In these
equations
theoperator lj3 E’i3 dS1 dS;
contains 9 terms.
By
ageneral
use of Riemann’stheorem,
which allows to transform surfaceintegrals
to line
integrals according
to the formulaand
noting
thata
U +a
U =0,
it is alengthy
butôxi ôx’i
’ g yeasy calculation to obtain the
following
results(1)
We
immediately
notice that a screw dislocation haszero
self-energy.
This isstraightforward
if we useeq.
(14)
and substitute in the free energydensity.
Inthe frame of linear
elasticity
a screw dislocation hascore energy
only.
More
generally,
it appears in eq.(23)
thatonly
theedge components
of the lines havenon-vanishing energies.
Also,
twostraight
andperpendicular edge
disloca-tions have zero interaction
energies.
Applying
eq.(23)
to the case of an isolatededge
dislocation in an infinite
medium,
for which we knowthe Green function
U(r/r’) (eq. 11 ),
weget,
per unitlength
of linewhere À. =
J K/B
is apenetration length and ç
thecore radius. The
quantity ç
appears in theintegration by imposing
a cut-off qc = 2z/j
on the variation of the wave vector. This result is similar to that oneobtained
by
Kléman and Williams[14] by
a directintegration.
The interactionenergies
calculated in the same paper are also obtained from eq.(23).
We also obtain the
self-energy
of aplanar loop
asfor the energy of the total
loop.
It is easy to check that thisquantity
increases with R.(’)
An easy way of using Riemann’s theorem is to write it with the notation of exteriorcalculus
dco =ff
ddm where, ifdco = A dx + ..., we have
dx A dy, dx A dz, etc... are related to the surface differential elements dx dy, dx dz, etc... by
3. 5 FINITE MEDIUM : METHOD OF IMAGES. - In a
finite
medium,
the Green function we have derived in section 3 is nolonger
useful.However,
the boun-dary
conditions aregenerally simple enough,
in expe- rimentalsituations,
to allow for an easy guess ofcorrect
images.
Let us consider the case when the
boundary
isalong
a smecticplane.
Two conditions arepossible,
whether the surface is free or anchored.
3 . 5 .1 1 On the free
surface,
it is reasonable to assumethat the forces ai3
dSi vanish,
i. e.buldz
= 0. Accord-ing
to eq.(15),
this means that theimage
of anedge
dislocation line is a dislocation line of
opposite sign.
There is therefore an attraction towards the free surface for any
edge
dislocation.3. 5. 2 If the molecules
arc
anchored on thesurface,
the
boundary
condition reads u = 0. This meansthat an
edge
dislocation isrepelled by
the surface.In the
language
of Green’s functions theimage
ofa
point
force withrespect
to a free surface is apoint
force of the same
sign,
and withrespect
to the anchor-ing
surface apoint
force ofopposite sign.
This appearsclearly
if we look at formula(13),
whereu(r)
is obtainedby integration of £/ (r/r’)
onthe x - y plane
for anaz
edge
dislocation.Consider for
example
asample
of constant thick-ness, situated between an
anchoring
surface at z = 0and a free surface at z = D. The Green’s function
U(r’/r) corresponds
to the effect ofpoint
forces ofpositive sign
inz’,
-z’,
z’ +4 D,
z’ 20134 D,
etc..., and ofpoint
forces ofnegative sign
in zl, - zl, z 1 + 4D,
z 1 - 4D,
etc...(Fig. 1) with z
1 = 2 D - z’FIG. 1 -
We
have, expanding
in a Fourier series
600
and the Green’s function we obtain reads :
From this
expression
it ispossible by
the methodswe have outlined before
(eq. (13)
and(23))
to obtainany
quantity
relative to a dislocation in thesample.
4. Conclusion. - We have not tried here
anything
else than to
apply
classical results of thetheory
ofdislocations in solids to the case of smectics. The first task has been to rewrite the
physical quantities
interms of stresses. The
application
we make are res-tricted to the
approximation
of linearelasticity
andto the case where the state of reference is the
perfect
smectic
(planar layers).
It would be of interest to usethe set of eq.
(8),
where noassumption
is madeconcerning
the state ofreference,
in thevicinity
ofconfocal domains. This
certainly
would firstrequire
a
study
and definition of states of reference whichare not
planar (1).
Anotherdevelopment
would beto
apply
the Peierls-Nabarro method in order tostudy
the coresplitting
of a dislocation and theanchoring
of smectics on surfacesperpendicular
tothe
layers.
A directapplication
of the Peierlsequation
to our case leads to the
integrodifferential equation
where y is the surface energy. The presence of the
(z - z’) -
3/2 factor indicates thedifficulty
of acomplete study.
The coresplitting
iscertainly
small(very
fewlayers
broken to create thedislocation)
and the Peierls-Nabarro force
large.
But to summarize the results of the
present study,
let us be reminded that we have been able to express the
energies
as lineintegrals,
with thehelp
of a Green’sfunction,
in a verysimple expression.
Weget
also theresults,
amongothers,
that the screwparts
havezero energy and that
perpendicular edge
dislocations do not interact. These results arecertainly
true farfrom the core where elastic
theory
breaks down. In the coreregion
either a Peierls-Nabarro calculationor use of a more
general theory
ofsmectics,
such as thatsuggested by Parodi,
would be necessary(’).
Acknowledgements.
- Weacknowledge
discussions with K.Bowen,
J.Friedel,
0.Parodi,
M.Veyssié
and C. Williams.
(1)
Parodi, 0., private communication.(1)
A similar study of dislocations in smectics, using a Green’s-function technique, has been independently performed by P. S.
Pershan, who kindly sent me a preprint. This paper insists more on
applications to various cases than on a general formulation.
References [1] FRIEDEL, G., Annals de Phys. 18 (1922) 273.
[2] MARTIN, P. C., PARODI, O. and PERSHAN, P. S., Phys. Rev. A
6 (1972) 2401.
[3] HELFRICH, W., Phys. Rev. Lett. 23 (1969) 272.
[4] FRIEDEL, J., Dislocations (Pergamon Press) 1964.
[5] DE GENNES, P. G., J. Physique 30 (1969) C4-65.
[6] FRANK, F. C., Disc. Far. Soc. 25 (1958) 1.
[7] DE GENNES, P. G., Introduction to Liquid Crystals (Acad.
Press) 1974.
[8] ERICKSEN, J. L., in Liquid Crystals and Ordered Fluids (Plenum Press) 1970, p. 181.
[9] HIRTH, J. P. and LOTHE, J., Theory of dislocations (McGraw- Hill) 1968.
[10] DE GENNES, P. G., C. R. Hebd. Séan. Acad. Sci. 275 (1972) 549.
[11] BLIN, J., Acta Met. 3 (1955) 199.
[12] KRONER, E., Z. Phys. 141 (1955) 386.
[13] NABARRO, F. R. N., Theory of crystal dislocations (Clarendon Press) 1967.
[14] KLÉMAN, M. and WILLIAMS, C., in print J. Physique Lettres
35 (1974) L-49.