Liquid Crystals

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Nematic phase transition and texture dynamics

Nasser Mohieddin Abukhdeir

To cite this article: Nasser Mohieddin Abukhdeir (2016) Nematic phase transition and texture
dynamics, Liquid Crystals, 43:13-15, 2300-2319, DOI: 10.1080/02678292.2016.1239772
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Published online: 23 Nov 2016.

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LIQUID CRYSTALS, 2016
VOL. 43, NOS. 13–15, 2300–2319
http://dx.doi.org/10.1080/02678292.2016.1239772

INVITED ARTICLE

Nematic phase transition and texture dynamics

Nasser Mohieddin Abukhdeir
Department of Chemical Engineering, Department of Physics and Astronomy, Waterloo Institute for Nanotechnology, University of
Waterloo, Waterloo, Canada

ABSTRACT ARTICLE HISTORY

Research advances over the past decade in the areas of nematic phase transition and texture Received 16 May 2016
dynamics are reviewed. Research studies applying theoretical techniques able to resolve the
KEYWORDS
length and time scales inherent to liquid crystal (LC) dynamics are focused on: coarse-grained Nematic phase; dynamics;
molecular dynamics and continuum mechanics. The focus on LC dynamics is due to their phase transition; texture;
importance in both fundamental and technological processes involving complex LC textures defects; simulation
and texture transitions. Meta-stable textures frequently occur in soft matter systems, thus knowl-
edge of LC textures that result in free energy minima for a specific system is not sufficient to
characterise its behaviour. Resolution of dynamics enables researchers to predict with more
accuracy observable LC textures and texture transitions. As is reflected in the reviewed research,
LC dynamics simulations have enabled both validation of simulations with existing experimental
observations and predictive results, which augment direct experimentation. While the outlook is
positive as a result of this, several key challenges stymie further progress: (i) the availability of
validated open-source software implementing nematic dynamics simulation methods, (ii) devel-
opment of suitable visualisation and characterisation methods for transient three-dimensional LC
textures, and (iii) inclusion of thermal fluctuations in nematic dynamics models.

1. Introduction
The majority of current-generation liquid crystal-based
(LC) devices rely on either uniform or simple spatial
variation in LC ordering. Canonical examples of this are
nematic LC light shutters, which are pervasively used in
LC displays to spatially modulate the intensity of back-
lighting. Even advanced LCD technology, such as fringe
field-switching pixels [1], involves relatively simple
nematic domains in the absence of phase change and
defects. An increased understanding of LC phase transi-
tion and texture dynamics, where texture refers to LC
domains with defects present, has significant potential for
next-generation LC-based technology [2].
Given the multiple scales over which LC phase tran-
sition and texture dynamics are observed, one of which
being the nanoscale, implies that further progress in
the fundamental understanding of these phenomena
requires simulation-based approaches. Subsequently, a
significant amount of research in the field is simula-
tion-based involving the application of a broad range
of methods from quantum to continuum mechanics.
The majority of simulation-based research on phase
transition and texture dynamics, however, is mainly
limited to continuum methods, although advances in
computing power are enabling coarse-grained molecu-
lar dynamics simulations on relevant scales [3].

CONTACT Nasser Mohieddin Abukhdeir nmabukhdeir@uwaterloo.ca Department of Chemical Engineering, Department of Physics and Astronomy,
Waterloo Institute for Nanotechnology, University of Waterloo, Waterloo, Canada
© 2016 Informa UK Limited, trading as Taylor & Francis Group

Focusing on continuum mechanics simulations of
LCs, these can be divided into two main types: hydro-
static and hydrodynamic. An additional classification
based on the type of order parameter used to charac-
terise orientational order, inherent to all types of LC
phases, can also be made for director (vector) versus
alignment tensor models [4,5]. In the context of phase
transition and texture dynamics, alignment tensor
models are strictly necessary. Hydrostatic LC simula-
tions simulate reorientation dynamics, where variation
of the LC orientational order in time and space is
modelled in the absence of reorientation-induced
flow, or back flow [4]. Nematic hydrodynamics simula-
tions capture both reorientation dynamics, hydrody-
namics, and their coupling. While reorientation
dynamics simulations are both more accessible and
prevalent in the field, recent computational and theo-
retical advances [6,7] have resulted in an increase in the
utilisation of nematic hydrodynamics simulations.
Within this context, research advances over the past
decade in the areas of phase transition and texture
dynamics of the nematic phase are reviewed. Research
using models and simulation methods which resolve
nematic dynamics, molecular dynamics and continuum
mechanics, are focused on due to the prevalence of
meta-stability of nematic textures. This results in the
need to resolve dynamics in order to predict observable
textures and texture transitions in the presence of a
multitude of possible meta-stable states. Alternatively,
simulation techniques that resolve stable and meta-
stable textures through minimisation of the nematic
free energy have been recently highlighted in ref. [8].
Additionally, the review will be restricted to texture
dynamics research in the low Ericksen number flow
regime.
The review is organised into three sections: Section
2 presents a brief background summarising key con-
cepts of nematic dynamics simulations, Section 3 pro-
vides a review of research advances over the past
decade and Section 4 gives the conclusions and
outlook.
2. Background
Modelling and simulation of LC phase transition and
texture dynamics are relatively challenging tasks. In
general, two approaches are used, coarse-grained mole-
cular dynamics and continuum mechanics, which have
been concisely reviewed by Care and Cleaver [9]. The
general principles of these methods will be briefly dis-
cussed to provide the necessary context for the review
that follows.
LIQUID CRYSTALS 2301
Molecular dynamics (MD) simulations essentially
involve to application of Newtonian mechanics to a
system of interacting molecules. Many LC-specific
issues arise in these simulations, one of the main ones
being that simulation domains must be relatively large
with respect to the molecular length scale in order to
capture coherent LC phases. The characteristic length
of nematic order, the nematic coherence length λn , is
typically on the order of
10 nm. Thus MD simula-
tions of nematic phases must resolve domains signifi-
cantly larger than this length-scale with the number of
molecules being >>104 . As a result of this, the use of
highly descriptive but computational intensive atomis-
tic representations of molecules is not feasible.
Molecular coarse-graining [10], shown in Figure 2, is
a widely used technique that involves neglecting the
internal degrees of freedom of molecules and, subse-
quently, greatly reducing the computational cost of
simulating their dynamics. A pervasively used coarse-
grained molecular interaction potential for LC simula-
tions is the Gay–Berne potential [10], which is a
Lennard–Jones type potential for ellipsoid-shaped
molecules:
"
12
σs
Uðui ; uj ; r ij Þ ¼ 4ðui ; uj ; rÞ
r  σðui ; uj ; r ij Þ þ σs

6 #
σs
 (1)
r  σðui ; uj ; r ij Þ þ σs
where ui /uj is orientation (unit) vector of molecule i/j,
r ij ¼ r i  r j where r i /r j is the position of the centre-of-
 
mass of molecule i/j,  ui ; uj ; r is a strength function
(energy scaling), σðui ; uj ; rÞ is a range function (length
scaling) and σ s is the characteristic length scale of the
mesogen. While limited in the length and time-scales
accessible, MD has significant advantages compared to
continuum mechanics models in that through explicit
resolution of molecular interactions LC phase proper-
ties such as elasticity, hydrodynamics, etc. are inher-
ently captured. An LC-focused introduction to MD is
presented in ref. [11].
Continuum mechanics models for LC phases are
relatively complex, both in their formulation and solu-
tion/simulation. An initial challenge is determination
of an appropriate order parameter for nematic order.
The use of a tensor order parameter, the alignment
tensor Q [4,5], enables representation of phase transi-
tion and defects in orientation (disclinations). Figure 1
(b–c) show schematics of how the spatial variation of
the alignment tensor eigenvalues, represented through
the use of tensor glyphs, smoothly captures abrupt/
2302 N. M. ABUKHDEIR
(a)
Figure 1. (Colour online) (a) A schematic representation of an atomistic (left) versus (right) coarse-grained representation of a
molecule, which exhibits LC order. Schematic representations of the alignment tensor field in the vicinity of a (b) þ 12 and (c)  12
disclination defect using rectangular cuboid glyphs with lengths and orientations corresponding to the three local alignment tensor
eigenvalues and eigenvectors, respectively. Reproduced with permission from refs [10,12].
discontinuous changes in nematic orientation resulting
from the presence of disclinations.
Several nematic hydrodynamics models have been
proposed based on the alignment tensor representation
of nematic order [9]. Focusing on the model proposed
by Stark and Lubensky [7] for an incompressible
nematic, the general form of the conservation of linear
momentum equation is
Dv
ρ ¼ Ñp þ Ñ  ðσ e þ σ r þ σ v Þ
Dt
where σ e is the elastic stress tensor, σ r is the reactive
stress tensor and σ v is the viscous stress tensor. The
general form of the conservation of angular momen-
tum equation is
 ST
DQ 1 δF
¼ Γ : Ñv  γ
Dt δQ
where the Γ is a fourth-order tensor that governs the
h iST
δF
coupling of nematic order to velocity, δQ is the
symmetric-traceless component of the variational deri-
vative of the total free energy with respect to Q, and γ
is the rotational viscosity. Simulations of nematic
hydrodynamics require solution of Equations (2)–(3),
which can be achieved either through direct solution of
the partial differential equation (PDE) system or the
use of a Lattice–Boltzmann method [6]. A frequently
used simplification of the model involves the assump-
tion of hydrostatic equilibrium where v ¼ 0; this
results in a simplified governing PDE:
 ST
@Q δF
γ ¼
@t δQ
which is referred to as the nematic hydrostatics model.
The validity of this assumption can be evaluated self-
consistently through verification that the hydrostatic
condition is satisfied by Equation (2):
(b) (c)
Ñp ¼ Ñ  ðσ e þ σ r Þ (5)
3. Review of recent advances
The review section is further divided into three sub-
sections corresponding to the three main types of
simulation methods used: Section 3.1 – Molecular
Dynamics; Section 3.2 – Nematic Hydrostatics; and
Section 3.3 – Nematic Hydrodynamics. Research
(2)
advances are reviewed, for the most part, in chronolo-
gical order. Section 3.2 is further divided into sub-
sections corresponding to texture dynamics and phase
transition dynamics due to a relatively large number of
research studies devoted to the latter topic.
3.1. Molecular dynamics
(3)
This section of the review will not include applications
of MD simulations to compute stationary solutions,
texture phase diagrams [13,14], switching dynamics of
traditional LC light shutters [15,16] and simulations for
the approximation of kinematic properties [17–20].
The study of LC droplet formation within a fluid
host phase has been one area focused on over the past
decade. Both liquid [21,22] and gas [23] host phases
have been studied along with the formation and relaxa-
tion of a nematic droplet on a solid surface [24].
Berardi et al. [21] and Brown et al. [22] performed
studies of the aggregation of LC droplets from a homo-
geneous mixture of spherical and ellipsoidal (Gay–
Berne) Lennard–Jones particles. Berardi et al. first per-
formed isothermal–isobaric (NPT) MD simulations for
different temperatures (T), mole fractions (xLJ ; xGB ),
(4)
and solvent–LC interaction strengths (eLJGB ). The
simulation procedure involved generating an equili-
brated homogeneous mixture at the desired tempera-
ture and mole fraction conditions, but with a
sufficiently high value of the solvent–LC interaction
strength to result in miscibility. Following equilibration
 LIQUID CRYSTALS 2303

(a) (d)

(g)

(b) (e)

(c) (f)
(h)

Figure 2. (Colour online) (a–f) Simulation snapshots showing the dynamics of aggregation of LC droplets from a homogeneous
mixture of spherical (Lennard–Jones, LJ) and ellipsoidal (Gay–Berne, GB) particles with xLJ ¼ 0:96 with solvent particles rendered at
20% of true size. (g) Evolution of the droplet anisotropy metric λI during the aggregation process for different solvent concentra-
tions at constant temperature. (h) Evolution of the particle-averaged droplet orientational order parameter S during the aggregation
process for different temperatures at constant solvent concentration. Reproduced with permission from ref. [21].

of the homogeneous mixture, the solvent–LC interac-
tion strength was then modified to the desired value
resulting in liquid–LC demixing. Figures 2(a–f) show
the time evolution of a representative simulation where
the equilibrated homogeneous mixture (Figure 2(a))
becomes unstable following modification of eLJGB
and phase separation occurs resulting in the aggrega-
tion of an LC droplet (Figure 2(f)). This specific pro-
cedure was chosen to avoid introducing discontinuities
in short-time dynamics of the simulation that would
result from abrupt changes in temperature.
Berardi et al. [21] analysed the effects of T, xLJ , and
eLJGB on the droplet shape, internal structure and
orientational order during the aggregation process.
Shape of the droplets was quantified using a shape
anisotropy metric λI of the average inertia tensor for
particles identified to be within the droplet. Figure 2(g)
shows the evolution of λI for simulations at fixed T and
varying xLJ . Droplet anisotropy is found to exist under
all simulation conditions with droplet shape having a
prolate spheroidal character, as is expected from both
past experimental results [25] and theoretical analysis
of the minimisers of the droplet free energy (Wulff
construction) [26]. The effects of T and xLJ on droplet
structure, specifically solvent/droplet interface and
internal droplet ordering, were also analysed through
computation of radial auto-correlation (LC/LC) and
cross-correlation (solvent/LC) functions. The droplet
interface was found to become more diffuse as tem-
perature was increased, along with increased droplet-
averaged orientational order parameter S (Figure 2(h)).
S was also found to decrease with increasing solvent–
LC interaction strength.
Brown et al. [22] performed a complementary study
on LC droplet aggregation using the same approach as
in ref. [21]. These simulations involved longer time-
scales and larger domains, which resulted in the deter-
mination that the droplets from both studies were
meta-stable. In addition to hydrostatics simulations,
hydrodynamics simulations imposing small rates of
shear were performed to determine the effect on dro-
plet shape. The anisotropy metric λI was computed for
single droplets of constant size and increasing tempera-
ture, finding an approximately linear relationship with
temperature. Translational (smectic) ordering was also
observed for lower temperatures. Hydrodynamics
simulations also showed an increase in droplet
2304 N. M. ABUKHDEIR
anisotropy when subjected to shear orthogonal to the
droplet orientational axis.
Vanzo et al. [23] performed MD simulations of
aggregation of LC droplets in coexistence with a vapour
phase in vacuum. This work also involved Gay–Berne
particles where the simulation procedure involved start-
ing with a cubic crystalline organisation of LC molecules
and evolving the domain to equilibrium. Simulations
were performed for domains with the number of parti-
cles ranging from 104 to 105 to determine the effect of
droplet size on its structure. Figure 2 shows a simulation
snapshot of one of the larger droplets with 105 particles.
Both the aggregation process and equilibrium droplet
structure were analysed through tracking the evolution
of the phase distribution (vapour, droplet interface, dro-
plet bulk), droplet-averaged orientational order para-
meter, and a droplet-averaged chirality index χ I . A
transition of the droplet shape and internal structure
was observed at
5  104 particles from non-chiral
to chiral. Smaller droplets were found to have an oblate
spheroidal shape with point disclination defects at the
interfaces intersecting the droplet long axis, a bipolar
textured droplet. Spatial variation of orientational order
within the droplet was analysed through grouping par-
ticles in the droplet in two ways: slabs with unit normal
in the direction of the long axis and concentric shells.
The orientational distribution function (ODF) for each
sub-region was then computed, which enabled the dif-
ferentiation of the defect and vapour/LC interface
regions from the bulk due to their significantly lower
orientational order.
Simulations of larger droplets with >5  104 parti-
cles exhibited a significantly different chiral texture,
shown in Figure 3(a). This transition was predicted
previously for freely suspended nematic droplets with
a splay elastic constant much greater than twist [27–
29]. The chiral texture transition was found to result in
a significant reduction in the tactoidal shape of the
droplet, as was observed for the smaller droplet case.
(a)
Figure 3. (Colour online) Simulation snapshot of the equilibrium configuration of a freely suspended nematic droplet composed of

105 Gay–Berne particles exhibiting a right-handed chiral structure. (b) Evolution of the chirality index χI for simulations resulting
in right- and left-handed chiral droplet textures. (c) Equilibrium χI versus number of particles in a freely suspended droplet.
Reproduced with permission from ref. [23].
The droplet shape anisometry was observed to decrease
for increasing droplet size (particle number), while the
chirality index χ I increased (Figure 3(c)). The evolution
of the chirality index was observed to differ for right-
and left-handed cases, but this was likely due to the
relatively few simulations performed.
Vanzo et al. [24] later performed an MD simulation
study of nematic nanodroplets wetting crystalline and
amorphous surfaces. This work also involved Gay–
Berne particles both in the isotropic liquid, nematic,
and vapour phases. An atomically smooth solid surface
was modelled using Lennard–Jones particles in both
crystalline and amorphous configurations. Simulations
were performed at temperatures below and above the
isotropic/nematic bulk transition temperature and
varying the strength of the LC/surface interaction para-
meter α. Figure 4(a) shows the time evolution of the
nanodroplet contact angle during melting and quench-
ing, where anisotropy of the contact angle was
observed in the nematic phase for both crystalline
and amorphous surfaces. As expected, the anisotropy
decreased as the orientational order of the nanodroplet
decreased, vanishing above the isotropic/nematic tran-
sition. The textures within the tactoidal nanodroplets
were reconstructed and found to vary depending on
surface affinity. At low surface affinity the droplet
texture is bipolar with point disclinations located at
the apexes, shown in Figure 4(b). For higher surface
affinities, the point disclinations exhibited ‘escape’ as
the contact angles approach zero, resulting in a homo-
geneous texture shown in Figures 4(c–e). The contact
angle anisotropy was found to have a relatively com-
plex behaviour: at low surface affinities the contact
angle was found to be isotropic while at higher affi-
nities it was found to be strongly anisotropic. The
isotropic/anisotropic transition of the contact angle
corresponds directly to the transition from bipolar to
homogeneous nanodroplet texture.
(b) (c)
 LIQUID CRYSTALS 2305

(a) (b) (c) (d) (e)

Figure 4. (Colour online) (a) Evolution of the contact angle at the long (blue/dashed) and short (red/solid) axes of the nematic
droplet versus time resulting from first melting a nematic droplet and then quenching it. (b–e) Simulation snapshots of droplets
from above (top) and cross-section (bottom) views with
104 Gay–Berne particles and a surface anchoring strength of α ¼ 0:7
(relatively high). Reproduced with permission from ref. [24].

Another area of research involving MD simulations
of LC texture dynamics is the study of the coupling
between LC reorientation and hydrodynamics, or
‘back-flow’. From a computational perspective, this is
a relatively challenging phenomenon to study, but
recent progress has been made both in the develop-
ment of accelerated MD solvers for LC dynamics [30]
and in understanding back-flow through application of
these methods.
Sunarso et al. [31,32] performed MD simulations to
study nematic back-flow induced through external
field-driven reorientation dynamics in a nematic
domain confined between two surfaces. These simula-
tions used the Gay–Berne potential under conditions
resulting in a stable nematic phase. Velocity and orien-
tational order profiles were reconstructed from the MD
simulations exhibiting an S-shaped velocity profile in
agreement with experimental and continuum mechan-
ical results. Figures 5(a–b) show particle tracers before
and shortly after application of the external field. In
addition to quantifying the velocity and orientational
dynamics, simulations were performed for various
mesogen aspect ratios ranging from 3 to 5 with fixed
number density. Increasing mesogen aspect ratio was
found to increase the reorientation time, as shown in
Figure 5(c). This effect was attributed to the increased
moment of inertia of the higher aspect ratio molecules
and not the rotational viscosity. The effect of aspect
ratio on the hydrodynamic response was characterised
by the maximum velocity versus time, shown in
Figure 5(d). The hydrodynamic response time was
also found to increase with increasing aspect ratio,
but the velocity magnitude and evolution exhibited a
more complex dependence.
Another study involving hydrodynamics and texture
dynamics that used MD simulations was ref. [33]; this
study used MD to partially validate continuum
mechanical simulations. Subsequently, it will be
reviewed in Section 3.3.
3.2. Nematic hydrostatics
3.2.1. Texture dynamics
Fukuda and Yokoyama [34] studied the effect of an
external field on the texture in the vicinity of a sphe-
rical particle immersed in a nematic domain.
Experimental observations of this system [35] found
that the application of an external field could induce a
transition from a point to a line disclination in the
vicinity of the droplet. The resulting transition enabled

(a) (b) (c) (d)

Figure 5. Simulation snapshots of mesogens (a) before and (b) after the application of an electric field; each mesogens is coloured
by its initial x-position to show the flow profile resulting from reorientation-driven backflow. Evolution of the volume-averaged
molecule (c) orientation and (d) velocity magnitude for mesogens with different aspect ratios. Reproduced with permission from
ref. [32].
2306 N. M. ABUKHDEIR

(a) (c)

(e)

(b) (d)

(f)

Figure 6. (Colour online) Simulation snapshots of equilibrium nematic textures through surface plots of the square of the
Qzz -component of the alignment tensor in the vicinity of a spherical particle of radius R ¼ 327λn with: (a) point and (b) line
disclination textures with a magnetic field applied (H
H1 , horizontal direction), (c) point and (d) line disclination textures in the
absence of an external field. Plots of (e) H1 and (f) H2 versus particle size. Reproduced with permission from ref. [34].

selection of different particle interactions depending on
field strength, motivating further study. Fukuda and
Yokoyama performed hydrostatic simulations in order
to better understand this phenomenon and the effect of
particle size and field strength with the assumption of
‘strong’ homeotropic anchoring at the nematic/particle
interface. A magnetic external field was used in order
to avoid complications involved in the use of an elec-
tric field and its coupling to the local orientational
order of the nematic domain. Based upon previous
theoretical analysis, simulations were performed in
order to determine the effect of the particle size on
two critical magnetic field strengths: H1 the critical
field strength at which the point and line disclination
textures have the same free energies and H2 the critical
field strength where the point defect texture becomes
unstable. Figures 6(a–d) shows simulation snapshots
with (Figures 6(a,b)) and without (Figures 6(c,d)) an
applied external field H
H1 for fixed particle size.
This elucidates the first-order-like behaviour of the
texture transition where one texture state is stable and
the other is meta-stable. They then performed reorien-
tation dynamics simulations in order to approximate
H1 and H2 versus particle size as shown in Figures 6(e,
f), respectively.
Tojo et al. [36] performed a hydrostatic simulation
study of nematic textures in the vicinity of a charged
particle in the presence of an electric field. Simulations
corresponded to a nematic domain between parallel
fixed-charge plates with free anchoring at the plates
and elastic (‘weak’) anchoring at the nematic/particle
interface. The effects of both the nematic domain and
charged particle on the electric field were accounted for
in the simulations. Simulations were performed for
positive and negative dielectric anisotropy nematic
LCs with free, homeotropic and degenerate planar
anchoring. Figures 7(a,b) show the nematic texture in
the vicinity of the particle for increasing positive charge
for positive and negative dielectric anisotropy nematic
domains, respectively. Reorientation dynamics simula-
tions were used to compute the evolution of the texture
for increasing particle charge and free surface anchor-
ing. In the absence of a particle charge, the electric field
is uniform and imposes a uniform nematic texture
along or orthogonal to the electric field direction (ver-
tical axis) for positive and negative dielectric aniso-
tropy nematic domains, respectively. For the positive
dielectric anisotropy case, shown in Figure 7(a), as
(positive) particle charge is increased, a  12 disclina-
tion loop forms in the vicinity of the particle due to the
electrostatic coupling of nematic texture to the
deformed electric field. For the negative dielectric ani-
sotropy case, shown in Figure 7(a), as (positive) particle
charge is increased, a  12 disclination loop forms
perpendicular to that in the previous case and exhibits
‘escape’ at the particle surface due to the presence of
free anchoring conditions. For the positive dielectric
anisotropy case, dynamic simulations exhibited meta-
 LIQUID CRYSTALS 2307

Figure 7. (Colour online) Simulation snapshots of the nematic texture in the vicinity of a charged particle for increasing positive
charge within (a) a positive and (b) a negative dielectric anisotropy nematic domain. (c) Gradient free energy (dimensionless) versus
particle charge for positive and negative dielectric anisotropy nematic domains, where arrows correspond to the formation of
disclination defects with increasing charge. Reproduced with permission from ref. [36].

stability of the textures without (Figure 7(a), left) and
with (Figure 7(a), right) disclination loops. This beha-
viour was not observed for the negative dielectric ani-
sotropy case. Simulations were also performed for
single particle cases with finite anchoring strength
and two particle cases with same and opposite charges
(not shown).
De Luca and Rey [37] studied the effect of confine-
ment on a nematic domain within a cylindrical capillary
with diameter ranging from nano- to macroscale. They
performed simulations with homeotropic anchoring con-
ditions of nematic capillaries in order to better under-
stand the types of nematic texture present and transitions
between them. Figures 8(a–c) show schematics of the
different textures, which are topologically consistent for
a nematic capillary with strong homeotropic anchoring:
(i) planar radial with a þ 1 disclination line defect
(PRLD, Figure 8(a)), (ii) planar polar with a pair of þ 12
line defects (PPLD, Figure 8(a)), escaped radial (ER,
Figure 8(a)), escaped radial with alternating charge

(a) (b) (c) (d)

(e) (f)

Figure 8. (Colour online) Schematic representations of the (a) planar radial with a + 1 disclination line defect (PRLD) texture, planar
polar with a pair of þ 12 line defects (PPLD) texture, escaped radial (ER) texture, (b) escaped radial with alternating charge point
defects (ERPD) texture, and (c) escaped radial with alternating charge line/ring defects (ERRD) texture. (d) Schematic texture phase
diagram for a nematic capillary domain. Simulation visualisations of the dynamic mechanism of ring disclination impingement,
which results in the formation of either a (e) ER texture or (f) PPLD texture. Reproduced with permission from ref. [37].
2308 N. M. ABUKHDEIR
point defects (ERPD, Figure 8(b)), and escaped radial
with alternating charge line/ring defects (ERRD,
Figure 8(c)). They performed simulations in order to
determine the effect of capillary diameter on the stable
nematic texture and determine the dynamic mechanisms
involved in transitioning between unstable and stable
textures. A schematic of the texture phase diagram with
respect to thermodynamic driving force and capillary
diameter is shown in Figure 8(d). The ERPD and ERLD
textures were found to be meta-stable and three stable
textures were predicted based upon the ratio of the capil-
lary diameter D to the nematic coherence length λd : for
nanoscale capillary diameter λDn <42 the PRLD texture
was found to be stable (Figure 8(a)), for intermediate
scale capillaries 42< λDn <100 the PPLD texture was
found to be stable (Figure 8(a)), and for macroscale
capillaries λDn >100 the ER texture was found to be stable
(Figure 8(a)).
Dynamic transition mechanisms between textures
were also observed, shown in Figures 8(e,f). The dia-
meter and shape of meta-stable ring disclinations were
found to be different for nano- and macro-scale capil-
laries where for capillary diameter λDn >100 ring discli-
nations were perfectly circular with a unique diameter
of 8λn . For capillary diameter λDn <100 ring disclination
shape became increasingly eccentric and diameter
increased for decreasing capillary diameter; for λDn <42
(a)
(d)
0.26
0.25
0.24
0.23
0.22
Sd
0.21
0.20
0.19
0.18
0 1
Figure 9. (Colour online) Simulation snapshots of nematic elliptic cylinder domains using hyperstreamlines [12]: (a) equilibrium
configuration, (b–c) transient configurations following application of an external field, (d) field-driven equilibrium configura-
tion, (e–f) transient configurations following release of the external field. (g) Volume-averaged scalar nematic order parameter
versus external field strength for equilibrium nematic elliptic cylinder domains of varying aspect ratio. Reproduced with
permission from ref. [38].
they were found to be unstable. Figures 8(e,f) show the
dynamic mechanism of ring disclination impingement
which, depending on capillary diameter, concludes
with either the formation of the ER texture (Figure 8
(e)) or the PPLD texture (Figure 8(f)).
Khayyatzadeh et al. [38] performed a simulation
study on the formation and external field-driven
dynamics of elliptic nematic capillaries. The majority
of simulations of nematics in confined geometries
focus on simple rectangular, cylindrical, and spherical
geometries. The effects of anisometric confinement is
poorly understood and frequently occurs in technology
applications of LCs. Simulations of the formation pro-
cess from an unstable isotropic state were performed
with the assumption of heterogeneous (boundary)
nucleation. The formation process (not shown) was
observed to deviate significantly from that of circular
nematic capillaries where a + 1 disclination initially
forms and splits into a lower energy pair of þ 12 dis-
clinations [39]. As shown in Figure 9(a) for an elliptic
cylinder with aspect ratio a ¼ 2, the disclination
defects were observed to be located in focal regions of
the elliptic domains in all equilibrium configurations.
This was attributed to result from increasing localisa-
tion of curvature imposed by the boundary in these
areas as aspect ratio increases.
The effect of application and release, or switching, of
an external field was also studied due to its relevance to
(b) (c)
(e) (f)
R
1.05
1.2
1.4
1.6
1.8
2.0
2 3 4 5
E (V/µm )
(g)

electro-optical applications of nematics. Simulations
were performed for domains with aspect ratios ranging
from a ¼ 1 ! 2 and electric field strengths of
E ¼ 0 ! 5 μmV
. Figures 9(a–d) show the external field-
driven texture evolution for an elliptic domain with
a ¼ 2 and Figures 9(d–f) show the relaxation of the
nematic texture following release of the external field.
The driven texture dynamic mechanism was observed
to be governed by the motion of defects through the
central region of the nematic domain. The relaxation
dynamic mechanism was observed to involve a bulk
rotation of the domain texture driven by the restoring
surface forces. Volume-averaged scalar nematic order
parameters Sd were computed for all simulations where
Sd ! 0 corresponds to a radial nematic texture and
Sd ! 1 corresponds to a homogeneous nematic tex-
ture. Figure 9(g) shows Sd for different aspect ratio
elliptic cylinder domains for varying external field
strengths. For aspect ratios a>1:2, it is observed that
the application of an external field (for the given con-
ditions) results in decreased orientational order of the
domain until a critical field strength at which there is a
bulk texture transition. This critical field strength is
highly sensitive to aspect ratio, which implies that
variation in this parameter can have a significant effect
on the performance of electro-optical LC technology,
specifically switchable privacy glass based on polymer-
dispersed LC films.
3.2.2. Phase transition dynamics
In addition to nematic texture dynamics research, there
have been several advances in phase transition
dynamics modelling over the past decade. These
include enhancements to nematic dynamics models
[40,41] and applications of the standard and enhanced
(a)
Figure 10. (Colour online) (a) Evolution of the isotropic/nematic interface for an initially uniform stable nanoscale nematic droplet
growing in a meta-stable isotropic phase with a region where disclination shedding occurs outlined. (b) Alignment tensor
eigenvalues versus spatial coordinate in the defect shedding region identified in (a); spatial paths corresponding to the eigenvalue
plots are shown on the right. Reproduced with permission from ref. [44].
LIQUID CRYSTALS 2309
models to study relevant phase transition dynamics
phenomena [40–46].
Wincure and Rey [42–44] performed a series of
studies on texture transitions of stable nematic droplets
growing in an unstable isotropic phase. They focused
on the effects of nematic elasticity [42] and degree of
undercooling [43] on the texture transition mechan-
isms involved in the growth of a nematic droplet from
the nanoscale to macroscale. Focusing on the shallow
quench case presented in ref. [44], Figure 10(a) shows
an outline of the isotropic/nematic interface of a stable
uniformly oriented nematic droplet growing in a meta-
stable isotropic phase. Initially, the nanoscale droplet is
tactoidal due to the interfacial anisotropy of the
nematic phase and nanoscale size of the droplet,
which imposes a prohibitive free energy cost to texture
dynamics. As the droplet grows in size, approaching
the macroscale, a disclination ‘shedding’ texture transi-
tion mechanism is predicted to occur where the initi-
ally uniform droplet transitions to a textured one.
Simultaneously the droplet undergoes a shape transi-
tion from tactoidal (nanoscale) to spherical (macro-
scale). The disclination shedding mechanism is
further elucidated in Figure 10(b) where the alignment
tensor eigenvalues are shown along different paths in
the vicinity of the interface. An isotropic region is
entrained by the growing nematic interface and rapidly
evolves into a þ 12 disclination following entrainment.
Following the transition from a uniform to textured
droplet, the newly formed defects are static as the
droplet grows in size resulting in a radial textured
droplet evolving from an initially uniformly oriented
nucleation event.
Abukhdeir and Rey [45] performed a simulation
study of the effect of meta-stable nematic pre-ordering
on the direct isotropic/smectic-A transition. An
(b)
2310 N. M. ABUKHDEIR

(a) (b) (c)

Figure 11. (Colour online) Simulation snapshots of the growth of a stable smectic droplet in: (a) an unstable isotropic phase and (b)
a meta-stable nematic phase resulting from pre-ordering. The background field corresponds to the variation of the density
(translational order) and the foreground arrows correspond to the nematic director field (if present). (c) Plots of the aspect ratio
a versus major axis of the droplets from (a, green) and (b, blue). Reproduced with permission from ref. [45].

extension to the smectic-A phase of the Landau–de
Gennes free energy for the nematic phase was used
[47] along with the assumption of a large difference
in orientational (nematic) and translational ordering
kinetics. Experimental observations of meta-stable
nematic pre-ordering in a liquid crystalline polymer,
which exhibits a direct isotropic/smectic-A transition
with extremely slow phase transition dynamics, moti-
vated this study. Dual order parameter systems were
first shown to exhibit transient meta-stable states by
within the bulk of the droplet is uniform resulting from
coupling of translational and orientational order.
Abukhdeir et al. [41] also extended the nematic
dynamics model through deriving a thermal energy con-
servation equation, which includes the latent heat of the
isotropic/nematic transition. Huisman and Fasolino [49]
first elucidated the importance of latent heat and thermal
conduction on the isotropic/nematic transition under
shallow undercooling conditions. These  effects were
1
shown to explain the diffusive-like v / t growth2

Bechhoefer et al. [48]. Abukhdeir and Rey performed
simulations varying the dynamic timescales of orienta-
tional and translational ordering through varying the
ratio of rotational and smectic viscosity values.
Simulations of the growth of a stable homogeneous
smectic droplet in an unstable isotropic phase were
μ
performed for values ranging from μs ¼ 10 ! 102
r ρCp
shown in Figures 11(a,b). Figure 11(a) shows a growing
smectic-A droplet for a ratio of rotational/smectic visc-
osities below the critical threshold for meta-stable
nematic ordering. Internal smectic texture dynamics
result in the minimisation of the interfacial area with
planar anchoring, which is higher energy for the mate-
rial parameters used. As seen in Figure 11(c), the aspect
ratio of the droplet in the absence of meta-stable
nematic ordering evolves towards a ¼ 1, resulting in a
circular (spherical) droplet. Figure 11(b) shows a grow-
ing smectic-A droplet for a ratio of rotational/smectic
viscosity values above the critical threshold for meta-
stable nematic ordering. The meta-stable nematic front
precedes the smectic-A front, resulting in a signifi-
cantly different texture growth process than for the
standard case. As seen in Figure 11(c), the aspect
ratio of the droplet, now growing within a uniform
meta-stable nematic phase, monotonically increases,
resulting in an increasingly tactoidal shape. The texture
kinetics of the isotropic/nematic transition when
quenched slightly below the bulk transition temperature,
while non-diffusive growth kinetics (v / t) are observed
for deeper quenches. The thermal energy conservation
equation that was derived is,
T @Q @Q @ 2 f @Q
¼ μr : þT : Ñq (6)
@t @t @t @Q@T @t
where μr is the rotational viscosity, f is the nematic free
energy density and q is the heat flux, which can be approxi-
mated using the anisotropic form of Fourier’s law
q ¼ k  ÑT, and k is the thermal conductivity tensor. The
first term on the right-hand side corresponds to viscous
dissipation resulting from dynamics of the alignment ten-
sor, the second term corresponds to latent heat of the
isotropic/nematic transition and the third term corre-
sponds to heat flux. Simulations were then performed
comparing the standard isothermal nematic dynamics
model to the non-isothermal extension. Simulation condi-
tions resulting in both homogeneous and radial-textured
stable nematic droplets growing in meta-stable isotropic
phase were used. Results of fitting the droplet interface
velocity versus time to v / t n are shown in Figure 12(a) for
the homogeneous droplet simulations. The isothermal
simulation predicts n
1, corresponding to a non-diffu-
sional phase transition, which is inconsistent with
 LIQUID CRYSTALS 2311

(a) (b)

Figure 12. (Colour online) (a) Evolution of the exponent n power law fit v ¼ ctn of the isotropic/nematic interface velocity of a
homogeneous textured nematic droplet using the (blue) isothermal model, (green) non-isothermal model with high thermal
conductivity values, and (red) non-isothermal model with low thermal conductivity values. (c) Temperature profile versus radial
coordinate plot for a non-isothermal simulation with respect to the bulk phase transition temperature (Tcoex ). Reproduced with
permission from ref. [41].

experimental observations under these conditions. The
non-isothermal simulation predicts n
12 , corresponding
to a diffusional phase transition and showing that the
extended nematic dynamics model is corrected to agree
with past experimental observations.
Consistent with the results of Huisman and Fasolino
[49], the diffusional growth kinetics at shallow under-
cooling conditions were found to be a result of heating
of the isotropic/nematic interface. Figure 12(b) shows
the evolution of the temperature profile of the isotro-
pic/nematic interface for a non-isothermal simulation.
The interface velocity is proportional to the thermo-
dynamic driving force, the difference between the free
energy of the bulk isotropic and nematic phases, which
is dependent on temperature. As the droplet grows
under shallow undercooling conditions, conduction of
heat from the interface is not sufficient to balance
latent heat of the isotropic/nematic transition resulting
from the evolving interface. This results in a localised
increase in temperature, which slows the interface due
to decreased thermodynamic driving force, which is
eventually balanced by heat conduction away from
the interface.
Soulé et al. [46] applied the non-isothermal nematic
dynamics model developed in ref. [41] to study two-
dimensional directional phase-ordering of the isotro-
pic/nematic transition. Directional growth experiments
involve sliding a thin film enclosing a material of
interest from a plate held at a temperature above the
bulk phase transition temperature to another plate
below it. This results in the formation and translation
of an interface between the more-ordered (nematic)
and less-ordered (isotropic) phases within the middle
of the plate. Morphological instabilities in the shape of
the interface can be observed (Mullins–Sekerka
instabilities), which range from linear (regular) to non-
linear (irregular) undulations. A schematic representa-
tion of the Mullins–Sekerka instability is shown in
Figure 13(a), where the imposed temperature gradient
promotes perturbations of the order/disorder interface
while capillary forces inhibit them. Simulations of
directional growth for an isotropic/nematic transition
were performed with conditions such that the nematic
bulk initially results in homeotropic anchoring at the
interface, but planar anchoring is more stable.
Figure 13 shows simulation observations of a nonlinear
morphological instability where a disclination defect is

(a) (b)

Figure 13. (Colour online) (a) Schematic representation of the Mullins–Sekerka instability for a solid/liquid phase transition where
the solid line corresponds to the solid/liquid interface, the temperature profile in the vicinity of the interface is shown, and a
perturbation of the solid interface into the liquid is shown. Note that the perturbation is in the direction of decreasing temperature
and, subsequently, increasing thermodynamic driving force. (b) Simulation snapshots of a nonlinear morphological instability during
isotropic/nematic directional growth where a  12 disclination is shed from the isotropic/nematic interface enabling the formation
and increase in area of a low-energy planar anchoring region. Reproduced with permission from ref. [46].
2312 N. M. ABUKHDEIR
Figure 14. (Colour online) Simulation snapshot of a meta-stable isotropic/nematic interface with the nematic director field
superimposed on the nematic scalar order parameter field (background). Reproduced with permission from ref. [40].
created at the interface and translates into the bulk,
enabling a lower energy planar-oriented interface
region to form and grow as the interface evolves. This
nematic texture transition mechanism is very similar to
that predicted by Wincure and Rey [44] where defect
‘shedding’ occurs as a result of competition between
the bulk texture and preferred interface anchoring
conditions.
The inclusion of thermal fluctuations into the
hydrostatic nematic model [40] is a relatively recent
and less studied area, although the importance of them
to the dynamics of properties of LCs is well understood
[50]. After its introduction and validation [40], this
approach has been used to study phase transition
dynamics [40] and homogeneous nucleation [51] of
the isotropic/nematic transition. Figure 14 shows a
sample domain containing a meta-stable isotropic/
nematic interface resulting from solving a Langevin
dynamics model, an extension of the nematic hydro-
statics model (Equation (4)), using the Landau–de
Gennes free energy [40],
Q δF
¼ Γ : þξ (7)
@t δQ
where Q is the alignment tensor, Γ is a fourth-order
mobility tensor, which preserves the symmetric trace-
less property of Q, F is the free energy of the domain
and ξ is a symmetric traceless Gaussian noise tensor
governed by the fluctuation–dissipation relation. In
this work, Bhattacharjee et al. [40] present the exten-
sion to the standard dynamics model and appropriate
numerical methods for the solution of the resulting
stochastic partial differential equation system. They
then perform verification of the model through com-
parison of numerical and (reference) analytic results.
Recently, Bhattacharjee et al. [51] have applied the
stochastic nematic dynamics model to study homoge-
neous nucleation of an isotropic nematic transition.
This study provides significant insight into the devia-
tion of anisotropic fluids from the predictions of clas-
sical nucleation theory for nucleation rate and critical
droplet size resulting from the presence of nematic
elasticity and anisotropic interfacial tension.
Armas-Perez et al. [52] also demonstrated another
use for the stochastic nematic dynamics model as a
dynamics-based relaxation method to solve for equili-
brium nematic textures. They found that the computa-
tional cost of minimisation of the nematic free energy
of a domain using the stochastic dynamics model was
an order-of-magnitude less than for the standard deter-
ministic approach.
3.3. Nematic hydrodynamics
Research studies involving nematic hydrodynamics
range in scope from conditions under which the hydro-
dynamic flow is driven by nematic elasticity, back-flow,
to imposed flows where hydrodynamic stresses are
much greater than that of elastic stresses. These flow
regimes may be quantified through dimensional analy-
sis of the nematic hydrodynamics equations (Section
2), which results in a minimum parameterisation
including the Ericksen number,
ηλv
Er ¼ (8)
L
where η is the isotropic component of the viscosity, λ is
the imposed/characteristic length scale, v is the char-
acteristic velocity, and L is the nematic elastic constant
scaling. From the point of view of LC texture dynamics,
the flow regime where Er
1 is most studied and is

the focus of this section. Although a significant amount
of research has focused on high Er rheology studies
[53–57], this research is not within the scope of the
review.
The focus over the past decade of nematic hydro-
dynamics simulations has predominantly been on var-
ious phenomena involving solid colloidal particles in a
host nematic or cholesteric phase. These studies have
ranged from single colloid simulations focusing on
texture dynamics [58,59] to large-scale multiple colloid
simulations focused on their assembly into ordered
structures [60]. A highlight of research focusing on
this phenomena may be found in ref. [61].
Fukuda et al. [58,59] studied the effect of a nematic
LC flowing past a spherical particle both above [58]
and below [59] the bulk transition temperature. In
their first study, the frictional drag of a spherical par-
ticle with surface-enhanced nematic ordering in a flow-
ing isotropic phase of a nematic LC was simulated. The
effects of particle diameter, surface-enhanced ordering,
temperature and flow regime (Er) were studied. Their
theoretical approach involved holding constant the
orientational order parameter Ssurf at the sphere sur-
face. As expected, frictional drag was found to increase
with decreasing temperature above the bulk transition
temperature and increasing values of Ssurf at the sphere
surface for low Er flows. This was found to be caused
by a nematic surface layer that increased in size as
temperature approach the bulk transition temperature
and for increasing Ssurf . Increasing particle diameter,
which corresponds to reducing surface anchoring-
induced deformation of the nematic director n, was
found to also increase the size of the nematic surface
layer. Frictional drag was also found to be independent
of Er and, subsequently, proportional to the imposed
bulk velocity.
Yoneya et al. [59] later performed a simulation study
below the bulk nematic transition temperature for high
Erickson number flows (Er ¼ 10) past a spherical par-
ticle. Simulations were performed for surface anchor-
ing conditions resulting either in a –1 point
disclination or in a  12 disclination loop in the vicinity
of the particle. High Er flows were then imposed,
which were found to result in both types of defects
being displaced from the vicinity of the particles along
the local flow streamline. In the case of the  12 dis-
clination loop case, following displacement from the
spherical particle the loop collapsed into a topologically
equivalent –1 point disclination.
Araki and Tanaka performed a series of studies on
colloidal aggregation and dynamics in the presence of
external fields [60,62] using a phase–field method for
LIQUID CRYSTALS 2313
capturing the LC/solid interface [62,63]. This method
enabled simulation of many-body systems of colloidal
particles in a nematic host phase with less computa-
tional complexity compared to explicit interface cap-
turing. They applied the method to first study the
aggregation of colloidal particles in a nematic host
phase and observed meta-stable aggregation of particles
resulting from a single defect loop in ‘figure eight’-like
configurations. Large-scale multi-body simulations
were performed showing the propensity of this
mechanism to form large aggregates of >2 colloidal
particles. Figure 15(a) shows such an aggregate of 7
colloidal particles bound by a single disclination line
where the particles are assembled into a close-packed
hexagonal configuration.
Araki and Tanaka later performed a research study
of colloidal particle dynamics in a nematic host phase
in the presence of an external field [62]. The same
computational approach was used as in previous work
[63], but now with differing homeotropic anchoring
strengths for each particle and the addition of an
external force on the particle itself. The external field
was used to impose a bulk uniform alignment of the
nematic domain while the external force on the par-
ticle was applied both parallel and perpendicular to
the bulk alignment/external field direction. Figures 15
(c–d) show the steady-state particle configurations
within the nematic textures as particle force increases
for the parallel and perpendicular cases, respectively.
Anchoring strength for both cases was held constant
and resulted in a  12 defect loop or ‘Saturn ring’
texture in the vicinity of the colloidal particle. For
the parallel case, the particle velocity direction was
observed to be also parallel to the bulk texture. As
shown in Figure 15(b), the steady-state mobility of the
particle was computed and found to decrease with
increasing force on the particle. Referring back to
Figure 15(c), this decrease in mobility was attributed
to the change in texture as force on the particle
increases. The disclination loop was observed to be
displaced by an increasing distance from the particle
as force is increased, similar to the observations of
Yoneya et al. [59]. This results in increasing frictional
drag and decreasing mobility. Similar results were
observed for the perpendicular case, differing in that
there was a non-zero velocity component in the exter-
nal field direction, in addition to the component in
the external force direction. Figure 15(b) shows both
components of the mobility, which shows that at
higher external force values the orthogonal compo-
nent of the mobility converges to zero. Referring back
to Figure 15(d), this corresponds to the transition of
the disclination loop into an ‘escape’ texture where the
2314 N. M. ABUKHDEIR

(a) (b)

(c)

(d)

Figure 15. (Colour online) (a) Example of a meta-stable aggregate structure of colloidal particles resulting from a single disclination
defect loop in a ‘figure eight’-like configuration. (b) Colloidal particle mobility versus external force applied parallel and perpendi-
cular to the bulk orientation and external field. Simulation snapshots of colloidal particle translation resulting from an external force
applied (c) parallel and (d) perpendicular to the bulk orientation and external field. Reproduced with permission from refs [60,62].

surface anchoring conditions are overwhelmed by the
imposed external force. They also demonstrated that
the perpendicular configuration of the external field
and external force could be used to separate colloidal
particles with differing homeotropic surface anchor-
ing energies (not shown).
Gettelfinger et al. [33] also performed a study of a
colloidal particle in a host nematic phase with colloids
represented as both solid and undeformable inviscid
fluid spherical particles. The velocity boundary condi-
tions used were no-slip and stress continuity/no-shear
for the two types of particles, respectively. As with the
study of Yoneya et al. [64], high Ericksen number flows
were studied with Er ¼ 10 ! 20. For the solid particle
case, displacement of the disclination loop was
observed in the upstream direction for Er ¼ 10 and
collapse to a –1 point disclination occurred for the
Er ¼ 20 case. This phenomena is opposite of what
was observed in previous simulations [59,62], where
the disclination loop is observed to be displaced down-
stream. In order to validate their work with past
experimental studies of oil droplets in a nematic host
phase [65], they also performed simulations of an
inviscid fluid particle. For the Er ¼ 10 case the
disclination loop is displaced downstream from the
particle, while for Er ¼ 20 the displacement down-
stream increases and a particle-localised region of dis-
order appears upstream of the particle. These results
are qualitatively in agreement with experimental results
in ref. [65].
Gettelfinger et al. [33] proposed a simple argument
as to why the solid particles, approximated by a no-slip
boundary condition, result in defect displacement
upstream. This argument was based on a qualitative
view of the flow field upstream and downstream of the
particle where the upstream flow profile is diverging
while the downstream profile is converging. Diverging
flow is associated with orientational disorder, which
attracts the disclination loop while convergent flow
enhances orientational order, repelling the disclination
loop. For the inviscid particle case, there is slip at the
nematic/particle interface which results in a flow field
that advects the disclination downstream. As men-
tioned in Section 3.1, this study is particularly notable
due to the use of molecular dynamics simulations to
qualitatively validate continuum simulations for the
solid particle where a disclination loop upstream of
the particle is observed, in agreement with their

Figure 16. (Colour online) Simulated POM images of ferromagnetic discs rotating within a nematic domain in the presence of a
weak magnetic field with: (a) radius R ¼ 1:02 and thickness L ¼ 62, (b) the same radius and thickness as (a) but having free
anchoring on the radial boundaries of the disc (referred to as ‘edgeless’ in ref. [66].), and (c) radius R ¼ 0:3 and thickness L ¼ 150.
The colour bar indicates the intensity of transmitted light. Reproduced with permission from ref. [66].
continuum simulations. Unfortunately, neither this
[33] nor past studies [59,62] provide velocity profile
data with which this argument could be supported or
refuted. Furthermore, there are several differentiating
factors between these studies [33,59,62] that complicate
comparison of their results including nematic elasticity
values, anchoring conditions, and the presence of an
external field.
Antipova and Denniston [66] recently studied the
dynamics of ferromagnetic discs immersed in a
nematic domain in the presence of a weak magnetic
field. They performed simulations both with and with-
out backflow, or nematic reorientation-induced flow
(Section 2), in order to determine its significance.
Simulations were performed for discs ranging in scale
from 40 nm to 2 micron in diameter with varying
thickness. Figure 16 shows simulated polarised optical
microscopy (POM) images [66] of disc dynamics dri-
ven by a weak rotating magnetic field. Dynamic
mechanisms where determined with and without back-
flow (not shown), finding qualitative agreement with
experimental results for a similar system [67] for simu-
lations including backflow (and not without).
Additionally, the rate of rotation of the magnetic
field, and thus the disc itself, was found to have an
effect on the formation of disclination defects.
Homeotropic anchoring was used, which does not
result in the presence of disclinations at equilibrium,
but they were found to form at higher rates of rotation
of the disc (not shown).
LIQUID CRYSTALS 2315
Araki also performed a study on nematic flow through
a porous medium [64], shown in Figures 17(a–d), using
the phase–field method from past work [62,63]. He intro-
duced a classification of disclination loops where those
which surrounded the solid phase were referred to as
type-II such that they could not collapse to form a point
defect. Those that were ‘free’ and could collapse to form a
point defect were referred to as type-I; the classification is
illustrated in Figure 17(a). High Ericksen number simula-
tions were performed with flows induced in the z- and
x-directions, vertical and horizontal as shown in
Figures 17(b–d). Complex oscillatory hydrodynamic
behaviour was observed for imposed flows in the z-direc-
tion with increasing Ericksen number (Figure 17(d), per-
pendicular flow):
● Er < 26: the coupling of flow to nematic orienta-
tion results in bulk director rotation without sig-
nificant displacement or deformation of
disclination defects.
● 26  Er < 64: hydrodynamic stresses result in
continuous cyclic displacement and deformation
of type-I disclination loops through the porous
medium in the z-direction.
● Er > 64 : hydrodynamic stresses result in contin-
uous cyclic displacement and deformation of both
type-I and type-II disclination loops through the
porous medium in the z- and y-directions,
respectively.
2316 N. M. ABUKHDEIR

Figure 17. (Colour online) (a) Simulation snapshot of a meta-stable nematic domain within an idealised porous medium; defects are
identified and coloured red for ‘free’/type-I and blue for surrounding the solid phase/type-II. (b–d) Simulation snapshots of the
evolution of the nematic texture in (a) following application of a bulk force/flow in the horizontal direction resulting in a π2 rotation
of the texture. (e) Volume-averaged effective viscosity versus Ericksen number for flows imposed horizontally (squares) and
vertically (dots) showing the transition from type-I to type-II disclination dynamics. Reproduced with permission from ref. [64].

Flow was also imposed along the x-direction (hor-
izontal flow) resulting in switching of the texture align-
ment as shown in Figures 17(a–d). Time/volume-
averaged viscosity values were calculated for a range
of Ericksen numbers for both the parallel and perpen-
dicular flow cases, shown in Figure 17(e).
through direct experimentation. Furthermore, several
poorly understood and anomalous experimental obser-
vations have been elucidated through simulation-based
methods, which maintain fidelity to LC dynamics.
Based upon the research studies reviewed, several
key challenges that stymie further progress have been
identified:

4 Conclusions and outlook ● Inclusion of thermal fluctuations in continuum

Research advances over the past decade in the areas of
nematic phase transition and texture dynamics were
reviewed. These studies can be classified based upon
the simulation method used: coarse-grained molecular
dynamics and continuum mechanics (hydrostatics and
hydrodynamics). Frequent observation of meta-stabi-
lity of nematic textures motivates the resolution of LC
dynamics to identify observable textures and transition
dynamics between them. Coarse-grained molecular
dynamics studies have been performed at unprece-
dented length- and time-scales enabling, in some
cases, direct comparison with experimental observa-
tions. The synergy of descriptive nematic continuum
dynamics models and large-scale computational
resources have increasingly enabled researchers to pre-
dict nematic texture dynamics phenomena inaccessible
nematic dynamics models [40] in order to access
both critical phenomena and fluctuation-induced
texture dynamics.
● The development of visualisation and characterisa-
tion methods for LC texture dynamics where tran-
sient three-dimensional coupled alignment tensor
and velocity vector fields are present. Some pro-
gress has been made in this area [12,68–71].
● Clear and consistent documentation of simulation
methods and conditions including numerical
method implementations, material parameters,
boundary conditions, and initial conditions.
Overall, the outlook is positive for future progress in
the fundamental understanding of nematic phase

transition and texture dynamics. This progress could
be further accelerated through addressing the pre-
viously mentioned challenges, which could further
accelerate simulation-based research of LC phases.
Disclosure statement
No potential conflict of interest was reported by the author.
Funding
This work was supported by the Natural Sciences and
Engineering Research Council of Canada (NSERC).
ORCID
Nasser Mohieddin Abukhdeir http://orcid.org/0000-0002-
1772-0376
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