A. V.
Zakharov
* and
A. A.
Vakulenko
Saint Petersburg Institute for Machine Sciences, the Russian Academy of Sciences, Saint Petersburg 199178, Russia. E-mail: avz0911@yahoo.com; Web: www.ipme.ruava2vale@mail.ru; Web: www.ipme.ru
First published on 12th July 2012
The theoretical description of the reorientational dynamics in a microized liquid crystal cell, where the nematic sample is confined by two horizontal and two lateral surfaces, under the influence of a temperature gradient ∇T is presented. We have carried out a numerical study of the system of hydrodynamic equations including director reorientation, fluid flow v, and the temperature redistribution across the cell under the influence of ∇T, when the sample is heated both from below and from above. Calculations show that, due to interaction between the gradient of the director field ∇ and ∇T, the bidirectionally aligned liquid crystal (BALC) sample settles down to a stationary bi-vortical flow regime. As for a nematogenic material, we have considered the BALC cell to be occupied by 4-n-pentyl-4′-cyanobiphenyl, and investigated the effect of both ∇
and ∇T on the magnitude and direction of v, for a number of hydrodynamic regimes.
In the field of LC phases, a great deal is known about their deformations under the influence of electric and magnetic fields,2 whereas, on the other hand, comparatively little is known about the effect of a temperature gradient on their structure properties.3–6
Recently, a new method to control LC flow dynamics using a bidirectionally aligned liquid crystal (BALC) film has been proposed.7 It was shown for the case of bistable twisted nematic (BTN) devices, that dynamic flow is essential to the switching mechanism.
The aim of our paper is to analyze the response of the BALC film composed of asymmetric molecules, for instance, such as cyanobiphenyl, confined in the microsized volume between two horizontal and two lateral surfaces under the influence of a temperature gradient ∇T directed from the cooler to the warmer boundaries. Thus we are primarily concerned here with describing the way how the temperature gradient across the microsized BALC film can produce hydrodynamic flow. This problem will be treated in the framework of the Ericksen–Leslie theory,8,9 accounting for the thermoconductivity equation for the temperature field T,10 whereas the Rayleigh–Benard mechanism does not produce any effect because of the small film thickness.11 It should be pointed out that the thermally driven convection in a millimeter-sized horizontal layer of a nematic heated below or above and in a magnetic field has been studied for approximately 40 years.12–14
The present paper is organized as follows: the relevant equations describing director motion, fluid flow and temperature distribution in the above system are given in Sec.II; numerical results for possible hydrodynamic regimes are given in Sec.III; conclusions are summarized in Sec.IV.
T−L<x<L,z = d = Tw | (1) |
T−L≤x≤L,z = −d = Tx = −L,−d<z<d = Tx = L,−d<z<d = Tc | (2) |
![]() | (3) |
Moreover, we will assume the no-slip boundary conditions for the velocity field on these bounding surfaces, i.e.,
v−L<x<L,z = ± d = vx = ± L,−d<z<d = 0 | (4) |
It should be noted here that these BALC layers were used in the BTN devices.7 In our calculations the value of the ratio d/L is chosen equal to 0.1. Such choice of the width/length ratio allows us avoid the effect of the bounding lateral walls on the director reorientation inside the BALC cell.
Note that a thin horizontal layer of quiescent LC fluid heated from below becomes unstable to convection via the Rayleigh–Benard mechanism, and this system has been used extensively for the study of a great variety of pattern-formation phenomena.11,12 Taking into account that the size of the LC cell d ∼ 1–5 μm, in our case R ≪ Rc ∼ 1708, and the driving force is weak enough to set up of convection via the Rayleigh–Benard mechanism.
Taking into account the width of the BALC cell, one can assume the mass density ρ to be constant across the BALC cell, and thus deal with an incompressible fluid. The incompressibility condition ∇·v = 0 gives
u,x + w,z = 0 | (5) |
The hydrodynamic equations describing the reorientation of the LC phase in the 2D case, when there exists a heat flux q across the BALC film, can be derived from the torque balance equation Tel + Tvis + Ttm = 0 where is the elastic torque,2
is the viscous torque.2 and
is the thermomechanical torque,5 respectively (for details, see the Appendix), the Navier–Stokes equation
![]() | (6) |
![]() | (7) |
To be able to determine the evolution of the angle values θ(t, x, z) to the equilibrium orientation 0eq(x, z), and the evolution of the velocity field v(t, x, z) caused both by the temperature gradient and the director reorientation to the equilibrium orientation, we consider the dimensionless analog of these equations. The dimensionless torque balance has the form
![]() | (8) |
![]() | (9) |
![]() | (10) |
![]() | (11) |
Now, the reorientation of the director in the BALC film can be obtained by solving the system of nonlinear partial differential eqn (8)–(11), with the appropriate dimensionless boundary conditions for the angle
![]() | (12) |
v−1<x<1,z = ±1 = vx = ±1, −1<z<1 = 0 | (13) |
χ−1<x<1,z = 1 = χw, χ−1 ≤x≤1, z = −1 = χx = −1, −1<z<1 = χx = 1, −1<z<1 = χc | (14) |
Here χw = Tw/TNI and χc = Tc/TNI are the dimensionless temperatures corresponding to the highest and lowest values, respectively. Thus when the director is strongly bidirectionally anchored to the lower boundary and planar to the upper and two lateral restricted surfaces, the angle θ has to satisfy the boundary conditions (12) and its initial orientation is chosen equal to θ(τ = 0, x, z) = θel(x, z), where θel(x, z) is obtained from eqn (8) with Ψ,x = Ψ,z = χ,x = χ,z = 0, and the boundary and initial conditions in the form of eqn (12), and then, under the action of the viscous, elastic, and thermomechanical forces, allowed to relax to its equilibrium value θ = θeq(x, z).
For the case of 4-n-pentyl-4′-cyanobiphenyl (5CB), at a temperature of 300 K and density of 103 kg m−3, the experimental data for elastic constants are K1 = 10.5 pN and K3 = 13.8 pN,15 whereas the measured data both for the rotational and six Leslie coefficients are (in [Pa s]16) γ1 ∼ 0.072, γ2 ∼ −0.079, α1 ∼ −0.00066, α2 ∼ −0.075, α3 ∼ −0.0035, α4 ∼ −0.072, α5 ∼ −0.048, and α6 ∼ −0.03, respectively. The value of the heat conductivity coefficients parallel (λ||) and perpendicular (λ⊥) to the director are (in [W mK−1]17) 0.24 and 0.13, respectively. In the following we use the measured value of the specific heat18Cp ∼ 103 [J (kg K)−1]. In our calculations the thickness of the LC cell is equal to 5 μm, Tw = 303 K, Tc = 298 K, and TNI = 305 K. The experimental value of the thermomechanical constant ξ was estimated as ∼10−12 J Km−1, based on the measurements of the liquid crystal flow in the horizontal direction.19 The set of parameters that is involved in eqn (8)–(11) has the following values: δ1 ∼ 29, δ2 ∼ 2 × 10−5, δ3 ∼ 2 × 10−6, and δ4 ∼ 1.1 × 10−3. Using the fact that δi ≪ 1 (i = 2, 3), the Navier–Stokes equations [eqn (9)and (10)] can be considerably simplified and take the form
c1Ψ,zzzz + c2Ψ,xzzz + c3Ψ,xxzz + c4Ψ,xxxz + c5Ψ,xxxx + c6Ψ,zzz + c7Ψ,xzz + c8Ψ,xxz + c9Ψ,xxx + c10Ψ,zz + c11Ψ,xz + c12Ψ,zz + F = 0 | (15) |
Eqn (11) also can be simplified because the parameter δ4 ≪ 1, and the left-hand side of eqn (11), as well as the last term, can be neglected, so that eqn (11) become
(λsin2θ + cos2θ)χ,zz + (λ − 1)sin2θθ,zχ,z = 0 | (16) |
Thus the response of the BALC film in the above setting is described by eqn (8), (15)and (16), together with the boundary conditions eqn (12)–(14), and the initial condition θ(τ = 0, x, z) = θel(x, z), where θel(x, z) is the equilibrium distribution of the angle θ across the BALC film under the influence only the elastic force.
![]() | (17) |
![]() | (18) |
The other boundary conditions are the same (see eqn (12), (13)) for both these cases. Fig. 1 shows the equilibrium distribution of the director field in the dimensionless BALC cell for case I, when the dimensionless temperature difference is equal to Δχ = χw − χc = 0.0162 (∼5 K). This has been calculated by solving the abovementioned system of the nonlinear partial differential eqn (8), (15)and (16), by means of Galerkin's method.20 In the calculations, the streamline function
is approximated by a finite sum of the orthogonal functions
, where Lk denotes the Legendre polynomial of rank k, N is the order of the approximation, and the elementary functions φ satisfy the boundary conditions φ (±1) = φ′(±1) = 0. The biharmonic eqn (16) is transformed to the matrix equation A·Q = f, where the matrix A has the elements aijmn = (Φij, DΦmn), with Φmn = φm(x) φn(z)(i, j, m, n = 0,…,N). Here DΦmn = c1Φmn, zzzz + c2Φmn, xzzz + c3Φmn, xxzz + c4Φmn, xxxz + c5Φmn, xxxx + c6Φmn, zzz + c7Φmn, xzz + c8Φmn, xxz + c9Φmn, xxx + c10Φmn, zz + c11Φmn, xz + c12Φmn, xx is the biharmonic differential operator, Q is a matrix of unknown coefficients Qmn (m, n = 0,…,N), and the matrix f, with the elements fij = −(Φij, F), is the scalar product (for details, see Appendix). The equilibrium distribution of the angle θeq (x, z) along the width of the dimensionless BALC cell (−1 ≤ x ≤ 1), for case I, and for a number of distances away from the cooler lower (χ−1 ≤ x ≤ 1, z = −1 = χc = 0.97) boundary is shown in Fig. 2. According to our calculations in case I, in which the angle θ is varied between values
on the left-hand side of the lower boundary and
on the right-hand side of the lower boundary, the highest value of |∇θ(x, z)| is reached in the vicinity of the lower (−1 ≤ x ≤ 1, z = −1) boundary. The distribution of the velocity field v in the BALC cell in case I for two times, τ = 0.001 (∼180 μs) after set up of case I, and, for the equilibrium distribution of v(τ, x, z), which occur after a time term τR = 2.05 (∼0.36 s), is characterized by maintaining of two vortices as shown in Fig. 3 and 4. Here 1 [mm] of the arrow length is equal to 0.24 [mm s−1], and τR denotes the relaxation time. In the calculations, the relaxation criterion ε = |(θ(m + 1) − θ(m))/θ(m)| was chosen to be 10−4, and the numerical procedure was then carried out until a prescribed accuracy was achieved. The direction and magnitude of the hydrodynamic flow v(τ, x, z) is influenced by both the direction of the heat flux q and the character of the preferred anchoring of the average molecular direction n to the bounding surfaces. According to our calculations of the angle θ(τ, x, z) across the BALC cell, the highest value of |∇θ| is reached in the vicinity of the middle part of the LC cell, and as a result, the biggest thermally excited velocities occur in the vicinity of the lower cooler surface. In case I, the bigger self-sustaining vortical flow in the left-hand side of the BALC cell is thermally excited in the positive sense (clockwise), whereas the smaller vortical flow in the right-hand side of the BALC cell is thermally excited in the negative sense (anti-clockwise) around their centers.
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Fig. 1 The equilibrium distribution of the director field ![]() ![]() |
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Fig. 2 The equilibrium distribution of the angle θeq(x, z) along the width of the BALC film (−1 ≤ x ≤ 1), for case I, and for a number of distances away from the lower boundary: z = −0.9 (curve 1), z = −0.7 (curve 2), z = 0.0 (curve 3), z = 0.7 (curve 4), and z = 0.9 (curve 5). |
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Fig. 3 The distribution of the velocity field v in the BALC cell, for case I, at the time τ = 0.001 Here 1 [mm] of the arrow length is equal to 0.24 [μm s−1]. |
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Fig. 4 The same as Fig. 3, but at the time τ = τR = 2.05. |
The distribution of the velocity field v in the BALC cell in case II for two times, first, which occur τ = 0.001 (∼180 μs) after set up of case II, and, second, for the equilibrium distribution of v(τ, x, z) within the BALC cell, which occur after a time term τR = 2.05 (∼0.36 s), is characterized, as in case I, by two vortices, as shown in Fig. 5 and 6. In case II, the bigger self-sustaining vortical flow in the middle part of the BALC cell is thermally excited in the negative sense (anti-clockwise), whereas the smaller vortical flow in the vicinity of the cooler upper restricted surface of the BALC cell is thermally excited in the positive sense (clockwise) around their centers. Notice that the stationary thermally driven bi-vortical flow in case I, with the LC sample heated from above, is characterized by slightly smaller values of v(x, z) than in case II. Indeed, in case I, the highest value of |v| is equal to ∼1.2 (mm s−1), whereas in case II, it is equal to ∼1.3 (mm s−1).
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Fig. 5 The distribution of the velocity field v in the BALC cell, for case II, at the time τ = 0.001. |
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Fig. 6 The same as Fig. 5, but at the time τ = τR = 2.05. |
In order to elucidate the role of the bidirectionally aligned lower surface in maintaining of the thermally excited bi-vortical flows in the BALC cell, we have performed a numerical study of the thermally excited fluid flow v(τ, x, z) in the case of a “right-hand” tilted LC cell (case R), with
![]() | (19) |
![]() | (20) |
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Fig. 7 The equilibrium distribution of the director field ![]() |
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Fig. 8 The distribution of the velocity field v in the UALC cell, for cases I and R, at the time τ = 0.001 Here 1 [mm] of the arrow length is equal to 0.24 [μm s−1]. |
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Fig. 9 The same as Fig. 8, but at the time τ = τR = 2.05. |
Fig. 10 shows another equilibrium distribution of the director field eq(x, z) in the UALC cell, in cases I and L. Here the temperature difference is equal to Δχ = χw − χc = 0.0162 (∼5 K). Our calculations of the thermally excited fluid flow in cases I and L shows (see Fig. 11 and 12) that the initially [up to 0.002 (∼360 μs)] maintained bi-vortical flow in the UALC cell is converted to a single vortical flow with the motion in the positive sense (clockwise) (see Fig. 12). The difference between the equilibrium vortical flows in cases (I and R) and (I and L) lies only in the directions of these thermally driven flows. In the first case it is directed in the negative sense (anti-clockwise), whereas in the second case it is directed in the positive sense (clockwise).
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Fig. 10 The equilibrium distribution of the director field ![]() |
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Fig. 11 The distribution of the velocity field v in the UALC cell, for cases I and L, at the time τ = 0.001 Here 1 [mm] of the arrow length is equal to 0.24 [μm s−1]. |
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Fig. 12 The same as Fig. 10, but at the time τ = τR = 2.05. |
Notice that in cases (R) and (L) with UALC cells, the biggest variation of the director field is reached only in the vicinity of the lower restricted surface and close to the vertical walls (see Fig. 2), whereas the temperature gradient is kept constant across the UALC cell. Calculations show that the horizontal UALC layer, being initially in the rest, if heated both from below or above, due to interaction between the director and temperature gradients, starts moving, and, initially bi-vortical flow is converted to the single vortical flow.
In the cases of the BALC cells, the biggest variation of the director field is reached in the vicinity of the middle part of the lower restricted surface and close to the vertical walls (see Fig. 2), whereas the temperature gradient is the same as in the cases (R) and (L). As a result, an extra one strong interaction between the director and temperature gradients in the vicinity of the middle part of the lower restricted surface leads to maintaining of the self-sustaining thermally excited bi-vortical flow.
So, based on our calculations, one can conclude that the character of the anchoring to the bounding surfaces plays a crucial role in maintaining the thermally excited vortical flows in 2D LC cell.
We believe that the present investigation can shed some light on the problem of control of the dynamic response of the bidirectionally aligned LC display under the influence of a temperature gradient.
The interpretation of the streamline function Ψ for the velocity field is used here for the velocity field v = v(t, x, z) of the incompressible fluid (∇·v = 0). The balance equation for the linear momentum is
, where ρ is the density of the system, and σ is the the stress tensor, whereas the entropy balance is
, where
is the heat flux in the system, and CP is the heat capacity of the system.
We consider here the set of dimensionless variables: both the dimensionless horizontal and vertical
coordinates, dimensionless time
, dimensionless temperature
, where TNI is the temperature of nematic–isotropic phase transformation, the dimensionless streamline function
, dimensionless elastic energy
el, dimensionless viscous
vis, thermomechanical
tm, and thermal
th contributions to the full dimensionless dissipation function
=
vis + δ1
tm + δ5
th, where
and
are two parameters of the system. Here the elastic and dissipation functions are:
Notice that the overbars in these variables and functions have been (and will be) eliminated in the following equations.
The dimensionless torque balance has the form
Straightforward calculations for the geometry = (cosθ, 0, sinθ) with the angle θ between the director
and the unit vector
give the following expressions for the elastic σelij, viscous σvisij and thermomechanic and σtmij components of the ST, i, j = x, z:
The thermomechanical stress components are
The biharmonic equation in the ST terms has the final form
c2 = f3, viszx + f2, visxx − f2, viszz |
The dimensionless entropy balance equation can be rewritten in the form
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