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Non-singular disclinations of strength S = + 1 in nematics
P.E. Cladis, M. Kléman
To cite this version:
P.E. Cladis, M. Kléman. Non-singular disclinations of strength S = + 1 in nematics. Journal de
Physique, 1972, 33 (5-6), pp.591-598. �10.1051/jphys:01972003305-6059100�. �jpa-00207284�
NON-SINGULAR DI SCLINATION S OF STRENGTH S
=+ 1 IN NEMATIC S (*)
P. E. CLADIS and M.
KLÉMAN
Laboratoire de
Physique
des Solides(**),
UniversitéParis-Sud, 91-Orsay,
France(Reçu
le 14janvier 1972)
Résumé. 2014 On montre que les lignes de singularité de rang + 1 dans les nématiques (S = + 1 correspondent à une rotation de 2 03C0 du directeur autour de la ligne) sont d’énergie minimale lorsque le directeur a une composante hors du plan perpendiculaire à la ligne et se trouve parallèle
à la ligne le long de celle-ci. On fait le calcul de la configuration et de l’énergie dans les cas des
déformations purement astrales (splay-flexion) et purement circulaires (torsion-flexion), en tenant compte de l’anisotropie des constantes élastiques. Ces solutions satisfont à la condition de champ
moléculaire de de Gennes. L’énergie de la ligne ne dépend pas de la taille R de l’échantillon (sup- posé cylindrique). Pour R inférieur à une valeur critique de l’ordre de quelques longueurs molé- culaires, la solution de Franck avec c0153ur (isotrope ou nématique) est préférable.
Abstract. 2014 It is shown that the energy of a screw disclination of strength + 1 [1] (2 03C0 rotation
of the director around the line) is reduced if the molecules are allowed to relax out of the plane perpendicular to the line. This solution has no singularity on the axis, r = 0. The calculation is done in the case of the anisotropic elasticity [2] for the pure splay-bend and twist-bend cases.
It satisfies de Gennes’ [3] molecular field. The line energy of the solution does not depend upon the size R of the specimen. When R becomes smaller than a critical value of the order of several molecular lengths, the Frank solution with an isotropic (or nematic) core is preferable.
Classification Physics Abstracts
14.82
1. Introduction. - Screw disclination lines in nema-
tic
liquid crystals
were firstproposed by
Frank[1].
His solutions are of the form :
where g/
is theangle
of the director with agiven
axisin the
plane perpendicular
to theline ;
0 is thepolar angle
andS,
thestrength
of the line(on
a closedpath
around the
line,
the molecular inclinationchanges by
2
nS),
is anintegral multiple
of ±2.
Thevalidity
ofeq.
(1) depends
upon two basicassumptions :
a)
the director lies in aplane perpendicular
to theline,
b)
the elastic constants of bend(K33), splay (Kl1)
and twist
(K22)
areequal (isotropic elasticity
or theone constant
approximation).
In a recent
calculation, Dzyaloshinskii [2]
has studiedthe Frank screw disclinations without
assumption (b).
He found
that, qualitatively,
the molecular orientation close to the line is the same as in the case ofisotropic elasticity
except for the case S = 1. For this case, he found that theonly
solutions which « survive » aniso-tropic elasticity
are thepurely
radial(g/
=0)
and the(*) Ce travail a été effectué grâce au support financier de la D. R. M. E. (contrat 71-347).
(* *) Laboratoire associé au C. N. R. S.
purely
circular(g/
= 0 +7r/2) configurations.
Wehave verified
Dzyaloshinskii’s
resultusing
a molecularfield argument
[3]
that the S = 1planar configuration correctly gives
an extremum to the free energy if(and only if )
= 0and g/
= 0 +Tr/2.
We
show, however,
that the nature of this extremumdepends
uponassumption (a)
and is in fact a saddle-point
formacroscopic samples.
A characteristic of the
planar
solutions of Frankand
Dzyaloshinskii
is that the strain energy increaseslogarithmically
as r, the radial distance from theline, approaches
zero. This necessitates the presence of acore
(i.
e. a centralregion
in which the elastic solution breaksdown)
to maintain a finite total energy. How- ever, in the case of screw disclinations ofstrength
S = 1, we have found that the total energy may be reduced and the core
dispensed with, by allowing
themolecules to relax out of the
plane. Assumption (a)
isthus removed. For these
non-planar solutions,
the line energy does notnecessarily diverge
as r - 0and the total energy per unit
length
of line is finiteand smaller than the
planar
solution, at least forcylin-
drical
samples
ofradius,
R,large.
As R -0,
theplanar
solution becomesagain
the leastenergetic
one, even
though
a core is necessary.Before
presenting
our results for theisotropic
nematic
(Kll
=K22
=K33) (for
which case wediscuss in detail the
problem
of thecore)
and theanisotropic
nematic(K11 =f. KZ2 =f. K33),
we discussArticle published online by EDP Sciences and available at http://dx.doi.org/10.1051/jphys:01972003305-6059100
592
the
general problem
of the existence of solutions of the screw typeusing
de Gennes’ molecular field argument[3].
II. Molecular field of screw disclinations in nematics.
- The free energy
density
of a nematic is[1] ]
where n is the director and
The correct minimization
[3]
of the total energy,subject
to the constraint eq.(3)
iswhere ni,j =
ônilôxj
and is aLagrange multiplier,
i. e.
h,
which de Gennes[3]
calls a « molecular field »in
analogy
withmagnetism,
must beparallel
to n.Eq. (4)
is thenequivalent
to h A n = 0.Assuming
n constrained before hand and
minimizing
eq.(2)
does not
necessarily
lead to stable solutions for the free energy.For
example,
we consider the Frankconfigurations,
constrained to be
planar
From eq.
(4),
the molecular field has componentsComparing (6a)
and(6b),
we see that we canonly
define a
Â,
such that - h =Ân,
if one of thefollowing applies.
More
generally, considering
thegeneral planar
solution
/=/2013
0 to be a function of thepolar angle only,
we find h to have components(here
x is theangle
of n with the radialvector)
Particular solutions for eq.
(7)
whichsatisfy
the molecular field criterion are one of thefollowing :
There are
just
the conclusions we came to for the Frankplanar
model. However, mostgenerally,
todefine a  we
require :
which may be written :
K -K
where oc =
K3 3 - K,, . Eq. (8b)
is theEuler-Lagrange K33 + Kll
equation
ofDzyaloshinskii. Consequently,
all hissolutions are stable solutions
[4].
We use stable here in the sense that these solutions exist. In the he nextsection we show that even
though
these solutions exist and are derivable from a minimization process, thecorresponding
energy is not an absolute minimum.Releasing
theplanar
constraint so that x is now afunction of r
(as
well as0),
leads to atopologically
similar
configuration
but one for which the total free energy is less. We have studied the case S = 1 insome detail and we consider first the
isotropic
caseK, 1 = K3 3 = K22
in the next section.III. The one constant calculation
(Kl1
=K22 = K33)’
- In this
limit, Kli = K22
=K33
= K, the cases puresplay (#
=0)
and purebend
= 0+ §j
are des-cribed
by
the same free energy,where re
is theanticipated
core radiusand Ee
is thecoré energy. ({J is defined in
figure (la’)
and(b’).
FIG. 1. - The Frank disclinations [l ] of strength S = 1 for the
case of pure splay (a) and pure bend (b). The top two figures present the disclination as they appeared in ref [1]. The bottom
two figures show how the nematic may relax the strains imposed by the disclination. In the figure, we show the components of the director for these two cases. qJ is the angle between the director
and the plane.
The Euler
Lagrange equation
for eq.(9)
isThe trivial
planar
solution cp =0, dgldr
= 0exists, indicating
that it also is an extremum of :F. The firstintegral
of eq.(10)
is :where A is the constant of
integration.
The molecularfield condition is satisfied with a value of Â
(h
= -Ân)
A. CONFIGURATION OUTSIDE THE CORE. - We
now
investigate
the behaviour of the solution for eq.(11)
for différent values ofA2, given
acylinder
ofradius R with the condition
g(R)
= 0. We assumethat ({J increases as r decreases.
solution of eq.
(11)
iswhere F is the
elliptic
function of the first kind.Eq. (13)
describes a molecularconfiguration
whichrotates
infinitely
fast as r --> 0. Theperiod
of rotationdecreases
exponentially
aswhere
K(oc)
is thecomplete elliptic integral
of the firstkind. The director is
singular
near the axis and thenconfiguration
must be cut offby
a coreregion.
An
interesting
property of the solution is that thé energy of theregion
betweenr(cp)
andr(cp
+7r)
does.not
depend
on r and isgiven by
It increases as A increases
(E(a)
is thecomplete elliptic
integral
of the secondkind).
When A’ =
1, the solutionof eq. (11)
may be writtenand r --> 0 when ç -
Tr/2.
A solution exists with nocore, which is of smaller energy than any solution of the type A2 > 1. For
A’ >
1and when
FIG. 2. - Solutions of eq. (11) for different values of constant A. A > 1 : the director rotates an infinite number of times ner
the axis. A 1 : the solution is defined in the range
Note the horizontal tangents for A 1, at ç = sin-i A.
594
and ({J a.
The solution of eq.
(18)
isand r reaches the value ro,
when
We show later
(in
section IIIC.l)
thatpermits
us tocomplete
the solution(eq. 19)
with acore for 0 r ro.
:F decreases when A = sin a decreases and is
independent
of R. For a =0,
we get aslimiting
solution the Frank solution but restricted to the range r > R exp -
Tr/2 (Fig. 2).
B. GENERAL CONSIDERATIONS ABOUT A CORE. - The above results state that there is a
solution, A
= 1 which allows anon-singular
distribution of the director from r =0,
where n isparallel
to theZ-axis,
to the outsideregion
where n is in theplane (eq. 10).
Theenergy,
TlnK
is smaller than the energy of any distri- butionextending
on the sameangular
range for A > 1 butbigger
than the energyof any
distributionpermitted
in the
permitted angular
range for A 1.Three
questions
arise :1. Does a core
region completing
the solution A 1 lead to a total energy smaller than the solution A = 1 ? We discuss this in section D.2. What are the
boundary
conditions at r = ro in the corerequired
tocomplete
the solution A 1 with a core ? We discuss this in section C.3. Does a core
superimposed
on the A = 1 solutiondecrease the total energy of that solution ?
Two types of core
require attention;
a core consist-ing
ofisotropic liquid,
or a coreperfectly nematic,
with the directoralong
the axis of the line. In the first case, the core energy, if weneglect
the latentheat,
isof the order of
KB I1Tc
permolecule ; KB
is the Boltz-mann’s constant and
I1Tc
the temperature difference between theclearing point T,
and the temperature of observation. We shall introduce later on a dimensionrp =
.J K/2 E (E
=KB IlTc N,
N number of moleculesper unit
volume),
of the order of the core radius.Typically
rp is of the order of 55A (IlTc
=100,
K N 10-6 cgs,
density -
1, molecularweight N 250).
In the second case, the core energy is due to the sur-
face tension y. We estimate y to be of the order of
Kla cos’
qJo, where a is a molecularlength
and (po the value of ç at theboundary
in the outsideregion (i.
e. at r =ro).
In
principle
the conditions ofequilibrium
are notsatisfied in the
region
of the core since the presence of the core means that the Frank energydensity
is notminimized
everywhere ; indeed,
a correctrepresentation
of a small
region
as the coreusually is,
would necessi-tate the introduction of second order
elasticity
coefh-cients or of an order
parameter S
which varies conti-nuously.
This latterdescription
has beenattempted by
Fan[5].
Here we are concerned with the limitations of ourdescription,
whichcorresponds
to the caseswhen the order parameter is
large (nematic core)
orsmall
(isotropic core).
In order to solve the
question
raised in 1,above,
we need to know the necessary
boundary
condition atthe interface r = ro, where the solution A 1 ends.
Boundary
conditions are of two types ; balance of torques and balance of forces. In thefollowing
weassume that forces are
entirely
balancedby anchoring forces ;
this may not be true, but weprefer
to limitourselves here to the
simplest
case whereonly
the torques have to be balanced(no anchoring
torques,no surface tension
effects).
In
general,
we shall find that forarbitrary
ç,doldr
= 0 at r = rogives
the stable solution(no torques).
This enables us to answerquestion 3,
here.For the solution A =
1, r d dr
/ = cos p. This isonl
yzero
when ç
=7r/2 (i.
e. at r =0).
Toplace
a core atr e
0,
results in an unstable interface.However,
if weignore
this condition and compute theresulting
ener-gies
of an A2 = 1 solution with asuperimposed
corewe find that for
large
R the solution haslarger
energy than the no core solution and for small R( N
severalmolecular
lengths)
it has a smaller total energy.C. STABILITY OF SURFACES. - We
investigate
thesurface torques,
T,
present on the two surfaces r = R and r = ro, and on sections Z =± d perpendicular
to the line :
According
to de Gennes[3],
andusing
Parodi’s notations
[6],
per unit area ofsurface,
where 1t has components
taking f,
the Frank FreeEnergy
to beFrom eq.
23,
we see that n =K Vn, (Parodi’s
conven-tion, dyadic notation).
In the formalism of deGennes,
1t =
(On)T
where T refers to the matrix Vntransposed.
v is the unit vector normal to the surface in
question.
n is the radius vector to the
surface,
a is the distorsion stress tensor and is definedby
in the one constant
approximation.
It is evident from eq.(24)
that a issymmetric
in the one constant limit.In order to compute 1t, we
neglect
the surface termsin f.
In the case of
splay-bend,
and incylindrical
coordi-nates
In the case of bend-twist
1. On the
surface
r = ro and r = R. - On thesesurfaces, v
is radial. For r = ro, v =(- 1, 0, 0)
andfor r =
R,
v =(1, 0, 0). Computing r,
we find for the case ofsplaybend, Tr
=r z
= 0 butEvaluating
eq.if
ç(ro) =
ço = ce(eq. 18).
IfFo :0
0 at r = ro, we would not be able tocomplete
the solution A2 1by filling
thecylinder r
ro with nematic.At
There is a net torque which per unit
length
of outsidesurface = - 2 ?r K sin a.
However,
at r = R, the interface may be nematic-solid so that the torques at this surface may be balancedby
an external source.In the case of
bend-twist,
we have a similarresult ; r(J=rz=Obut
2. On the
surface
Z = + d. - On this surfacex . v = 0 and 6. v = 0 so there are no torques at all on
a
planar
surface even if we allow n to varyfreely..
D. CONFIGURATION IN THE CORE
(A’ 1). - 1)
ISD-tropic
core. - We assume eq.(19)
togive
the molecularconfiguration
forro r R
where ro isgiven by
eq.
(20).
At r = ro, ç = a andsin’
a =A’ (see
§ III. A.2). For r, ,
r - ro, we put 9 = a. An iso-tropic
core[8], [9]
issupposed
to be contained in thecylinder r
r,,,. The case a = 0corresponds
to theplanar
case with anisotropic
core radius rp =/K/2
Ewhere we have estimated E
in §
III. B.With a core as described
above,
we compute the total energy.bylôr,
= 0implies
In the limit oc =
Tr/2,
we see r,, = 0. The total energy isEq. (30)
is shown infigure 3,
for different values of lnRlrp
+2.
Fromfigure 3,
it is evident that for lnRlrp >, 6.5 (i.
e. R >, 3.6g),
A = 1 represents atrue minimum for our model. However for In
Rlrp - 4.5
(i.
e. R N 0.25Jl)
we note a = 0(i.
e. the Frank solu-tion)
becomes metastable. When InRlrp
2.5(i.
e.R N 550
Â)
a = 0 represents a stable solution. The solutionA = 1,
then is a true minimum forlarge R (ln Rlrp >, 6.5)
and itcorresponds
to a solution for which we do not need any core.FIG. 3. - The effect of varying the constant of integration on
the total free energy Y is shown. A > 1 : the plotted value cor- responds to eq. (17), which assumes that the core is nematic
and of zero energy. A 1 : the core is assumed to be isotropic.
When In R/rp + t 3, a minimum to Y is found for a constant of integration = 0. When In R/rp + 1 - 7, A = 1 is seen to
give an absolute minimum to Y.
596
2)
Nematic core(A’ 1).
- This calculation as we present it would alsoapply
to a hollow core. Forreasons of
stability, (§ III. C),
we take at r = ro,dcp/dr
= 0. For r ro, we put undistorted nematic with director n =(0, 0, 1).
The energy to create aunit
length
ofcylindrical surface,
radiusro is
where y is a surface tension -
Kla (« a »
a molecularlength).
Thecos2
a factor indicates that moleculesparallel
to each other have zero surface energy.The total energy is
The surface energy is seen to be
quite large.
If weresort to a core constructed
similarly
as in III . D .1then we reduce the surface we must construct. The results are similar as for the
isotropic
core, exceptrn =
a j2
andE,,,InK
= 1. rn is theequivalent
of rp in§
III. D. Inparticular
we note formacroscopic R
where the
equality pertains
when a =7r/2.
Note how-ever, when R -->
0, :FN - :FI
0.3)
Remark on the Frank solution. - The coreradius, r’
of the Frank solution(where r’
is either rpof §
D. 1 or rnof §
D.2)
is smaller than thelimiting
value ro = R
exp(- n/2)
of the dashed curve for q = 0(fig. 2)
formacroscopic
values of R. Our solu-tion for A 1 does not
satisfy
the molecular field forFIG. 4. - Total Free energy as a function of ço for the core as
drawn in the lower part of the figure, for different values of In R/rp + 1 (= 2, 3, 5, 7). (Calculation for an isotropic core).
r’ cos a - r -- ro unless A = 0
(the
Frankcase)
orA = 1
(the
no corenon-planar case).
If we considerneighbouring
solutions in thevicinity
A =0,
r,= r’,
for allsamples
a small variationof rc
increases Y.For
large samples (ln Rn..Ir,
>7) varying
A aboutzero leads to a decrease in Y
(Fig. 4).
The Frank solu- tion is then asaddlepoint.
When lnRmazlrc 7, it
becomes a relative minimum and is a true minimumonly
forsamples
of the order of a few molecularlengths.
IV. The
anisotropic
casesKll =1= K22 =fi K 33-
-Here we must consider
separately
the cases ofsplay-
bend
(Fig. 1 a’)
and bend-twist(Fig. Ib’).
A. THE CASE OF SPLAY-BEND FOR WHICH
Kl 1 K 33-
·- The free energy
density
isThe
Ei-ili-r-Lagrange equation
for eq.(34) yields
as afirst
integral
We have demonstrated the existence of a solution to eq.
(35)
with ç =n/2
on theline,
i. e. a corelesssolution, ASB
= 0.The result is tabulated in Table 1 for the two cases
Kl 1 K3 3
andK11
>K3 3.
Also in TableI,
we have tabulated the molecularconfiguration r«p)IR
whereour
boundary
condition for r = R is ç = 0.From the Table we see that for
Ki i K33, qJ(r)
hasan
exponential
behaviour as r --+ 0. Thisapproaches
a more
nearly
core like behaviour. AsKI 1 -> 0,
withoutconsidering
the addition ofhigher
orderterms to the
expansion
of the free energyYlir --+
0.For
Ki i
-K33, :F/n
tends to theisotropic
limit of 3 K.The molecular field is satisfied and we find
B. THE CASE OF BEND-TWIST FOR WHICH
K22 1= K33’
- The free energy
density
isThe first
integral
to theEuler-Lagrange equation
isTABLE 1
Summary of
solutionsof
the minimization criteriafor
thefree
energyof
a nematic in the presenceof
an S = + 1 disclinationwhere
ABT
is the constant ofintegration.
We havecalculated , and
r(o)IR
for theboundary
conditions(p(R)
= 0 andç(0) = z/2 (summarized
on TableI),
i. e.
ABT
= 0.We see that the
isotropic
limit is 3 K. In the caseK33 K22,
we find the limit asK3 3 --+
0(neglecting higher
order derivatives to theexpansion
of:Ji)
7 -> 2
K22
and not zero. This suggests that for suffi-ciently
smallK33 (we
know of no nematic for whichK33 K 22)
theplanar configuration
would be the stable one. To estimate how smallK33
must be wouldrequire
theneglected higher
order derivatives.FIG. 5. - A 1. Energy of the range allowed to the solution
of eq. (11).
The molecular field condition is satisfied and  can
be defined as
V. Discussion. - We have demonstrated the exis- tence of
non-singular
coreless solutions for the caseS = 1. Such solutions seem to be
experimentally verified,
since a characteristic of S = 1 disclinations isfringes of decreasing birefringence
at r ---> 0. This wouldcorrespond
to a scheme such asfigure
1 a’ or 1 b’. Ithas also been
proposed
that coreless solutions exist for S = 1 in cholesterics[12], [13],
and this seems tohave been verified
experimentally [13].
We are unable to construct a « coreless » solution
(see Fig. 6)
for the S = +t. Consequently
we expect disclinations of type S= -1
to be moreenergetic
thanthe coreless S = 1
variety (keeping
in mind Rlarge).
In
fact,
we have observed[10]
two disclinations oftype S
=+ t
« associate » to form a + 1 whichwas
subsequently
observed to annihilate with anS = - 1. Such a situation is
improbable
if one insistsupon a
planar
constraint for the +1,
in this case, theenergy Y - S2 predicts
a « dissociation » of the598
FiG. 6. - Topological scheme to demonstrate the necessity
of a core for an S = + t.
S = 1.
Certainly
disclinations oftype S
= 1 appear to be far more abundant insamples
of M. B. B. A.(p-n-methoxy benzilidene-p-butylaniline) sample
thick-ness N
20 p
than those oftype S
= +2.
Thisagain,
does not accord with the relative
energies
of the linesassigned by
theplanar
constraint.VI. Conclusion. - When R is
large compared
to amolecular
dimension,
anon-planar,
coreless solution has a lower free energy than theplanar
solution of Frank for the S = + 1. The coreless solution is notsingular (there
are nologarithmic divergences
in thefree
energy)
and existsirrespective
of the relative values of the constantsKll, K 22
andK33.
We consider our
non-singular
solution to representa
disclination,
whose core has beendispersed through-
out the
sample
in a manner reminiscent of the Peierls- Nabarro[11] ]
model for dislocations. Thisimplies
that the molecular array may be described as a set of infinitesimal
disclinations,
dQ. A way ofconsidering
it is to take a circuit of constant radius around the
line ;
the« change
in inclination » of the director around this circuit is Q = cosqJ(r).
ThereforeThe total
strength S,
isgiven by
Acknowlegments.
- We wish to thank Prof.J. Friedel for encouragement.
References
[1] FRANK (F. C.), Disc. Far. Soc. 1958, 25, 19.
[2] DZYALOSHINSKII (I. E.), J. E. T. P., 1970, 31, 773.
[3] DE GENNES (P. G.), Liquid Crystal Physics, Lecture Notes, Orsay (1970).
[4] DZYALOSHINSKII’S configuration for the case S = 1/2 bears some comment. Unlike the Frank model for the S = 1/2, his molecular configuration is such
that the line tension E (or energy per unit length
of line) is equal to zero for X > 0 but for X 0, E ~ (03C0/2) K33 In R/rc where R and rc are the maximum and core radii respectively. This give
~E/~X ~ 0 indicating a force perpendicular to the
line tending to displace the line into the X 0 direction. If we consider the two ends of the S = 1/2 to be firmly anchored to the top and bottom glass
surfaces (say), such a force would make the line
bulge. A measurement of the degree of bulging
would lead to an estimate of the line energy and hence the core radius rc.
[5] FAN (C.), Phys. Letters 1971, 34A, 335.
[6] PARODI (O.) (private communication).
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[8] ERICKSEN (J. L.), in Liquid Crystals and Ordered Fluids Plenum Press, p. 181 (1970).
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[10] CLADIS (P. E.), Film presented at « Colloques d’Evian
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[12] CLADIS (P. E.) and KLEMAN (M.), Molecular Crystals
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[13] RAULT (J.), to be published.