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Using a theory of nematic
 liquid crystals to model
swimming microorganisms
              Nigel Mottram
 Department of Mathematics and Statistics
        University of Strathclyde
Background

  Swimming organisms, motivation:

    Behaviour of fish, sea mammals, interaction with man-
     made objects
    Smaller organisms, zooplankton, phytoplankton
    Interesting self-organisation
    Non-equilibrium fluid dynamics
Background

Behaviour of fish, sea mammals, interaction with man-made objects
Zooplankton
Zooplankton: small crustaceans and other animals that feed on other
plankton
            Copepod                            Krill
Phytoplankton

Phytoplankton: algae that live near the water surface where there is
sufficient light to support photosynthesis.
Self-organisation
Flocking/shoaling:




A mathematical model considers "flocking" as the collective motion of a
large number of self-propelled entities.

It is considered an emergent behaviour arising from simple rules that are
followed by individuals and does not involve any central coordination.
Flocking

  The first model of flocking involved three relatively simple rules

     Separation - avoid crowding neighbours (short range repulsion)
     Alignment - steer towards average heading of neighbours
     Cohesion - steer towards average position of neighbours (long range
      attraction)


  A simpler model changes the direction of motion by averaging over
   neighbours



            is the average orientation of neighbours,        is a random
   fluctuation
Flocking




(a)  High noise, low density: particles move independently
(b) Low noise, low density: particles form independent groups
(c)  High noise, high density: particles move with some correlation
(d) Low noise, high density: all particles move in same direction
Flocking and Ferromagnetism?

The   part of this update rule looks like a model of a ferromagnet…


…but in a ferromagnet you can’t have a symmetry breaking event in 2d




The flocking model creates organisation because it is out of equilibrium.
Similarities to liquid crystal molecular dynamics

The Gay-Berne potential is used to model a group of elongated
   molecules…
Similarities to liquid crystal molecular dynamics




          Separation – repulsion as molecules approach
          Alignment – side-side alignment gives lower energy state
          Cohesion – presence of a minimum in the energy
Similarities to liquid crystal molecular dynamics
Coarsening – continuum limit
We move to a continuum model by thinking of the velocity at a point in
space as being the average velocity of a (large) number of entities.

Possibly more plausible for microorganisms but has been used for
larger organisms.

Governing equations are derived in a similar way to the Navier-Stokes
but without the Galilean invariance.




We should probably also model the orientational order of the entities
A simpler model
A simpler model has been proposed, which does include orientational order.

In this model the “swimming” organisms are either “pushers” or “pullers”




    extensile (pushers)                                contractile (pullers)


An appropriate model is the Ericksen-Leslie with an extra term in the stress
tensor


We will consider a simple 1d system to look at the basic properties of an
active nematic

We look at three cases: (a) Spontaneous flow, (b) Flow induced through
shear, (c) Backflow and kickback
Spontaneous flow
The active nematic is initially aligned
parallel to the bounding surfaces.

Flow is only considered in one direction and
the director stays in the plane.




What happens?

The active nematic induces flow but if     is
constant there will be no contribution to the
flow equation.

Will the system break the symmetry and create flow?
Spontaneous flow
Linearise around the initial state…




and consider the solution…



which leads to…
Spontaneous flow
Apply the boundary condition for       ,



then using the equation for the velocity and the boundary condition…




we arrive at the following condition
Spontaneous flow
This condition determines when the initial state becomes unstable




This indicates that, for sufficiently
small values of , the mode decays,
leaving the initial state.

However, for                a mode
becomes unstable.

This plot also indicates other
unstable modes and other critical
values of the activity parameter.
Spontaneous flow
We can see this instability by solving the full nonlinear equations for
different values of and for different initial conditions.

For                  the initial state decays.
Spontaneous flow
For   the initial state does not decay.
Spontaneous flow
However, for        we can also obtain an alternative state.
Spontaneous flow
We find at least three solutions, two of which seem to be (locally) stable.




For higher values of the activity parameter we would expect even more
possible solutions. Further analysis of the bifurcations and solution
stabilities is needed.

We would like to be able to find critical values of ζ for which different
solutions exist.
Alignment in shear flow

If we now force a shear in the system
there is no stable trivial state and the
director prefers to align at the “flow-
aligning” angle.

There are however, instabilities away
from this state.

This system might be similar to a layer
of active nematic on top of a moving
immiscible fluid.

The induced flow from the active
nematic may affect the mixing of the
background fluid, nutrients, salinity etc.
Alignment in shear flow




Edwards and Yeomans numerically found different states but only
considered single mode solutions.
Backflow/Kickback

The third case we consider is a classic
example of director-flow coupling in liquid
crystals.

There may be interesting parallels in
active fluid systems.

Here we start with the same system as in
the first case but with a different initial
state.

The active nematic may have been aligned
by a variety of external influences:
magnetic field, light source, food source…
Backflow/Kickback
We first linearise about the state

The linearised governing equations are similar to the first case




and we seek solutions of the form
Backflow/Kickback
The modenumber and associated time constant are determined by,




Because       is negative and              is positive, the time constant
is negative (i.e. all modes decay) when the activity parameter is not
negative.
Backflow/Kickback
For        we get a number of modes determined by




The high order modes decay, causing kickback and leaving a single mode.
Backflow/Kickback
For small positive or negative values of the activity parameter the decay
is similar to the normal nematic.
Backflow/Kickback
For small positive or negative values of the activity parameter the decay
is similar to the normal nematic.
Backflow/Kickback
The first mode disappears at critical values of the activity parameter
Backflow/Kickback
For more negative values of the activity parameter we get decay without
kickback.
Backflow/Kickback
For more positive values of the activity parameter we get decay with
more pronounced kickback.
Backflow/Kickback
For larger positive values of the activity parameter we get decay with
more pronounced kickback.
Future questions

  What happens if density and order are included in models of active
  nematics?

  Most marine based microorganisms are polar; how does this break in
  symmetry affect the results?

  How realistic is it to use continuum models for large organisms?

  How do active species affect mixing?

  What happens in 2d or 3d?



Acknowledgements – Allan Sharkie, SAMS, MRC (for future funding)

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Using a theory of nematic liquid crystals to model swimming microorganisms

  • 1. Using a theory of nematic liquid crystals to model swimming microorganisms Nigel Mottram Department of Mathematics and Statistics University of Strathclyde
  • 2. Background   Swimming organisms, motivation:   Behaviour of fish, sea mammals, interaction with man- made objects   Smaller organisms, zooplankton, phytoplankton   Interesting self-organisation   Non-equilibrium fluid dynamics
  • 3. Background Behaviour of fish, sea mammals, interaction with man-made objects
  • 4. Zooplankton Zooplankton: small crustaceans and other animals that feed on other plankton Copepod Krill
  • 5. Phytoplankton Phytoplankton: algae that live near the water surface where there is sufficient light to support photosynthesis.
  • 6. Self-organisation Flocking/shoaling: A mathematical model considers "flocking" as the collective motion of a large number of self-propelled entities. It is considered an emergent behaviour arising from simple rules that are followed by individuals and does not involve any central coordination.
  • 7. Flocking   The first model of flocking involved three relatively simple rules   Separation - avoid crowding neighbours (short range repulsion)   Alignment - steer towards average heading of neighbours   Cohesion - steer towards average position of neighbours (long range attraction)   A simpler model changes the direction of motion by averaging over neighbours is the average orientation of neighbours, is a random fluctuation
  • 8. Flocking (a)  High noise, low density: particles move independently (b) Low noise, low density: particles form independent groups (c)  High noise, high density: particles move with some correlation (d) Low noise, high density: all particles move in same direction
  • 9. Flocking and Ferromagnetism? The part of this update rule looks like a model of a ferromagnet… …but in a ferromagnet you can’t have a symmetry breaking event in 2d The flocking model creates organisation because it is out of equilibrium.
  • 10. Similarities to liquid crystal molecular dynamics The Gay-Berne potential is used to model a group of elongated molecules…
  • 11. Similarities to liquid crystal molecular dynamics   Separation – repulsion as molecules approach   Alignment – side-side alignment gives lower energy state   Cohesion – presence of a minimum in the energy
  • 12. Similarities to liquid crystal molecular dynamics
  • 13. Coarsening – continuum limit We move to a continuum model by thinking of the velocity at a point in space as being the average velocity of a (large) number of entities. Possibly more plausible for microorganisms but has been used for larger organisms. Governing equations are derived in a similar way to the Navier-Stokes but without the Galilean invariance. We should probably also model the orientational order of the entities
  • 14. A simpler model A simpler model has been proposed, which does include orientational order. In this model the “swimming” organisms are either “pushers” or “pullers” extensile (pushers) contractile (pullers) An appropriate model is the Ericksen-Leslie with an extra term in the stress tensor We will consider a simple 1d system to look at the basic properties of an active nematic We look at three cases: (a) Spontaneous flow, (b) Flow induced through shear, (c) Backflow and kickback
  • 15. Spontaneous flow The active nematic is initially aligned parallel to the bounding surfaces. Flow is only considered in one direction and the director stays in the plane. What happens? The active nematic induces flow but if is constant there will be no contribution to the flow equation. Will the system break the symmetry and create flow?
  • 16. Spontaneous flow Linearise around the initial state… and consider the solution… which leads to…
  • 17. Spontaneous flow Apply the boundary condition for , then using the equation for the velocity and the boundary condition… we arrive at the following condition
  • 18. Spontaneous flow This condition determines when the initial state becomes unstable This indicates that, for sufficiently small values of , the mode decays, leaving the initial state. However, for a mode becomes unstable. This plot also indicates other unstable modes and other critical values of the activity parameter.
  • 19. Spontaneous flow We can see this instability by solving the full nonlinear equations for different values of and for different initial conditions. For the initial state decays.
  • 20. Spontaneous flow For the initial state does not decay.
  • 21. Spontaneous flow However, for we can also obtain an alternative state.
  • 22. Spontaneous flow We find at least three solutions, two of which seem to be (locally) stable. For higher values of the activity parameter we would expect even more possible solutions. Further analysis of the bifurcations and solution stabilities is needed. We would like to be able to find critical values of ζ for which different solutions exist.
  • 23. Alignment in shear flow If we now force a shear in the system there is no stable trivial state and the director prefers to align at the “flow- aligning” angle. There are however, instabilities away from this state. This system might be similar to a layer of active nematic on top of a moving immiscible fluid. The induced flow from the active nematic may affect the mixing of the background fluid, nutrients, salinity etc.
  • 24. Alignment in shear flow Edwards and Yeomans numerically found different states but only considered single mode solutions.
  • 25. Backflow/Kickback The third case we consider is a classic example of director-flow coupling in liquid crystals. There may be interesting parallels in active fluid systems. Here we start with the same system as in the first case but with a different initial state. The active nematic may have been aligned by a variety of external influences: magnetic field, light source, food source…
  • 26. Backflow/Kickback We first linearise about the state The linearised governing equations are similar to the first case and we seek solutions of the form
  • 27. Backflow/Kickback The modenumber and associated time constant are determined by, Because is negative and is positive, the time constant is negative (i.e. all modes decay) when the activity parameter is not negative.
  • 28. Backflow/Kickback For we get a number of modes determined by The high order modes decay, causing kickback and leaving a single mode.
  • 29. Backflow/Kickback For small positive or negative values of the activity parameter the decay is similar to the normal nematic.
  • 30. Backflow/Kickback For small positive or negative values of the activity parameter the decay is similar to the normal nematic.
  • 31. Backflow/Kickback The first mode disappears at critical values of the activity parameter
  • 32. Backflow/Kickback For more negative values of the activity parameter we get decay without kickback.
  • 33. Backflow/Kickback For more positive values of the activity parameter we get decay with more pronounced kickback.
  • 34. Backflow/Kickback For larger positive values of the activity parameter we get decay with more pronounced kickback.
  • 35. Future questions   What happens if density and order are included in models of active nematics?   Most marine based microorganisms are polar; how does this break in symmetry affect the results?   How realistic is it to use continuum models for large organisms?   How do active species affect mixing?   What happens in 2d or 3d? Acknowledgements – Allan Sharkie, SAMS, MRC (for future funding)