Statics
We are now in a position to present the full macroscopic dynamic equations for active polar order in a viscoelastic background. In addition to the variables already introduced in “
Key aspects” section, total energy density
𝜖, active concentration
ϕ, total mass density
ρ, total momentum density
g, polar order
F and preferred direction
f
i
, elastic strain tensor
ε
i
j
, and relative rotations
\(\tilde \Omega _{i}\), there is the entropy density
σ. The latter is related to all other variables by the Gibbs relation
$$\begin{array}{@{}rcl@{}} T\, d\sigma &=& d\epsilon - \Pi \, d\phi - \mu\, d\rho - \boldsymbol{v} \cdot d\boldsymbol{g} - m\, dF - h_{i} \,d f_{i} \\ &&- \Xi_{ij}d\varepsilon_{ij} - \Sigma_{i}d\tilde{\Omega}_{i} \end{array} $$
(13)
with the thermodynamic conjugates as prefactors, temperature
T, osmotic pressure π, chemical potential
μ, the mean velocity
v, the order conjugate
m, the ’molecular field’
h
i
, the elastic stress tensor Ξ
i
j
, and the relative torque Σ
i
. They all follow from the total energy density as partial derivatives. Note that
h
i
and Σ
i
have to be transverse (
f
i
h
i
= 0 =
f
i
Σ
i
) and Ξ
i
j
= Ξ
j
i
symmetric.
In the absence of any orienting field, the orientation of
f
i
is energetically not fixed and only ∇
j
f
i
enters the Gibbs relation. It is therefore useful to make this explicit in the Gibbs relation
$$\begin{array}{@{}rcl@{}} d\epsilon &=& T\, d\sigma + \Pi \, d\phi + \mu\, d\rho + \boldsymbol{v} \cdot d\boldsymbol{g} + m^{\prime} dF + h_{i}^{\prime} d f_{i} \\ &&+ \Psi_{ij} d \nabla_{j} F_{i} + \Xi_{ij}d\varepsilon_{ij} + \Sigma_{i}d\tilde{\Omega}_{i} \end{array} $$
(14)
with
\(h_{i} = h_{i}^{\prime } - F \nabla _{j} \Psi _{ij}\) and
m =
m′ −
f
i
∇
j
Ψ
i
j
.
To guarantee rotational invariance of the energy, there must be the symmetry
$$\begin{array}{@{}rcl@{}} && h_{i}^{\prime} \delta f_{j} + \Psi_{ki} \nabla_{j} F_{k} + \Psi_{ik} \nabla_{k} F_{j} + 2 \Xi_{ik} \varepsilon_{jk} + \Sigma_{i} \tilde \Omega_{j} \\ && \hspace{0.5cm}= \{ i \Longleftrightarrow j \} \end{array} $$
(15)
To be meaningful, we need a definite expression for the energy density
$$\begin{array}{@{}rcl@{}} \epsilon = \epsilon_{kin} + \epsilon_{act} + \epsilon_{grad} + \epsilon_{state} +\epsilon_{mix} + \epsilon_{elast} + \epsilon_{rot} \quad \end{array} $$
(16)
Restricting ourselves to the harmonic approximation, symmetry allows for the expressions
$$\begin{array}{@{}rcl@{}} \epsilon_{\text{grad}} &=& \tfrac{1}{2} K_{ijkl} (\nabla_{j} F_{i})(\nabla_{l} F_{k}) \end{array} $$
(17)
$$\begin{array}{@{}rcl@{}} \epsilon_{\text{state}} &=& \tfrac{1}{2} c_{\rho\rho}(\delta\rho)^{2} + \tfrac{1}{2} c_{\sigma\sigma}(\delta\sigma)^{2} + \tfrac{1}{2} c_{\phi \phi}(\delta \phi) (\delta \phi) \\ &&+ c_{\rho \phi}(\delta \rho)(\delta \phi) + c_{\rho\sigma}(\delta\rho)(\delta\sigma) +c_{\sigma \phi}(\delta\sigma)(\delta \phi) \quad\quad \end{array} $$
(18)
$$\begin{array}{@{}rcl@{}} \epsilon_{\text{mix}} &=& \left( \sigma^{\sigma}_{ijk}\nabla_{k} \sigma + \sigma^{\rho}_{ijk}\nabla_{k} \rho + \sigma^{\phi}_{ijk}\nabla_{k} \phi\right)(\nabla_{i}F_{j}) \end{array} $$
(19)
$$\begin{array}{@{}rcl@{}} \epsilon_{\text{elast}} &=& \tfrac{1}{2} c_{ijkl}\varepsilon_{ij}\varepsilon_{kl}+ \left( \chi_{ij}^{\sigma} \delta \sigma + \chi_{ij}^{\rho} \delta \rho + \chi_{ij}^{\phi} \delta \phi\right) \varepsilon_{ij} \end{array} $$
(20)
$$\begin{array}{@{}rcl@{}} \epsilon_{\text{rot}} &=& \tfrac{1}{2}D_{1}\tilde{\Omega}_{i}\tilde{\Omega}_{i} + D_{2}\left( f_{j}\delta^{\bot}_{ik} + f_{k}\delta^{\bot}_{ij}\right)\tilde{\Omega}_{i}\varepsilon_{jk} \\ &&+ D_{ijkl}^{F} (\nabla_{j} F_{i})(\nabla_{l} \tilde \Omega_{k}) \end{array} $$
(21)
where
𝜖
kin and
𝜖
act have been given in Eqs.
1 and
2, respectively. The energy
𝜖 is not specific for active dynamic polar order and is the same as for a passive nematic elastomer (replacing
f
i
by the director
n
i
everywhere).
The second rank tensors are of the uniaxial symmetric form (with
\(\delta ^{\bot }_{ij}\equiv \delta _{ij} - f_{i} f_{j}\)), e.g.,
$$ \chi_{ij} = \chi_{||}f_{i}f_{j} + \chi_{\bot}\delta^{\bot}_{ij}, $$
(22)
with two generalized susceptibilities, each. The third-order tensors are odd under time reversal and spatial inversion, e.g.,
$$ \sigma_{ijk}^{\rho} = \sigma^{\rho}_{1} f_{i} f_{j} f_{k} + \sigma^{\rho}_{2} f_{j}\delta^{\bot}_{ik} + \sigma^{\rho}_{3}\left( f_{i}\delta^{\bot}_{jk} + f_{k}\delta^{\bot}_{ij}\right), $$
(23)
and contain three phenomenological static parameters, each. The three fourth-order tensors have different symmetries
$$\begin{array}{@{}rcl@{}} K_{ijkl} &=& \tfrac{1}{2} K_{1}\left( \delta^{\bot}_{ij}\delta^{\bot}_{kl} + \delta^{\bot}_{il}\delta^{\bot}_{jk}\right) + K_{2} f_{p}\epsilon_{pij} f_{q}\epsilon_{qkl} \\ &&+ K_{3} f_{l} f_{j}\delta^{\bot}_{ik} + K_{4} f_{i} f_{j} f_{k} f_{l} + K_{5} f_{i} f_{k}\delta^{\bot}_{jl} \\ &&+ \tfrac{1}{4} K_{6}\left( f_{i} f_{l}\delta^{\bot}_{kj} + f_{j} f_{k}\delta^{\bot}_{il} + f_{i} f_{j}\delta^{\bot}_{kl} + f_{k} f_{l}\delta^{\bot}_{ij} \right) \end{array} $$
(24)
and
$$\begin{array}{@{}rcl@{}} c_{ijkl} &=& c_{1} \delta^{\bot}_{ij}\delta^{\bot}_{kl} + c_{2} \left( \delta^{\bot}_{ik}\delta^{\bot}_{jl}+\delta^{\bot}_{il}\delta^{\bot}_{jk}\right) \\ &&+ c_{3} f_{i}f_{j}f_{k}f_{l} + c_{4}(f_{i}f_{j}\delta^{\bot}_{kl} + f_{k}f_{l}\delta^{\bot}_{ij}) \\ &&+ c_{5} \left( f_{i}f_{k}\delta^{\bot}_{jl} + f_{i}f_{l}\delta^{\bot}_{jk} + f_{j}f_{k}\delta^{\bot}_{il} + f_{j}f_{l}\delta^{\bot}_{ik} \right) \quad \end{array} $$
(25)
and
$$\begin{array}{@{}rcl@{}} D_{ijkl}^{F} &=& \tfrac{1}{2} {D_{1}^{F}} \left( \delta^{\bot}_{ij}\delta^{\bot}_{kl} + \delta^{\bot}_{il}\delta^{\bot}_{jk}\right) + {D_{2}^{F}} f_{p}\epsilon_{pij} f_{q}\epsilon_{qkl} \\ &&+ {D_{3}^{F}} f_{l} f_{j}\delta^{\bot}_{ik} + \tfrac{1}{2} {D_{4}^{F}} f_{i} \left( f_{l}\delta^{\bot}_{kj} + f_{j}\delta^{\bot}_{kl} \right) \end{array} $$
(26)
containing six generalized Frank coefficients, five elastic moduli, and four mixed-type parameters, respectively. We do not write down here the explicit expressions for the conjugate quantities, since taking the appropriate derivatives is straightforward. We provide those expressions when necessary (e.g., in “
Simple solutions” section). The order conjugate
m is given in Eq.
3.
Dynamic equations
The variables introduced above follow local dynamic equations, either conservation laws or balance equations. Using the symmetry requirements, we get
$$\begin{array}{@{}rcl@{}} && \dot \rho + \nabla_{i}g_{i} = 0 \end{array} $$
(27)
$$\begin{array}{@{}rcl@{}} && \dot \sigma + \nabla_{i}(\sigma v_{i}) + \nabla_{i}j^{\sigma}_{i} = \frac{R}{T} \end{array} $$
(28)
$$\begin{array}{@{}rcl@{}} && \dot g_{i} + \nabla_{j} \left( v_{j}g_{i} + \delta_{ij}p + \tfrac{1}{2}\Psi_{jk}\nabla_{k} F_{i} +\tfrac{1}{2} \Psi_{ik} \nabla_{k} F_{j}\right. \\ &&\hspace{1.2cm} -\left. \Xi_{ij}+ \Xi_{kj} \varepsilon_{ik} + \Xi_{ki} \varepsilon_{jk}{\vphantom{\tfrac{1}{2}}}\right) +\nabla_{j} \sigma_{ij} = 0 \end{array} $$
(29)
$$\begin{array}{@{}rcl@{}} && \dot F + v_{i} \nabla_{i} F + X =0 \end{array} $$
(30)
$$\begin{array}{@{}rcl@{}} && \dot{ f_{i}} + v_{j} \nabla_{j} f_{i} + f_{j} \omega_{ij} + Y_{i} =0 \end{array} $$
(31)
with the vorticity tensor
\(\omega _{ij} = \tfrac 12 (\nabla _{i} v_{j} - \nabla _{j} v_{i})\). The dynamic equations for
ϕ,
ε
i
j
, and
\(\tilde \Omega _{i}\) (with the phenomenological currents
\(j_{i}^{\phi }\),
W
i
j
, Σ
i
) are given in Eqs.
4,
7, and
11. These phenomenological currents, and the other ones,
\(j_{i}^{\sigma }\), Ξ
i
j
,
X, and
Y
i
, can all be split into a reversible part (superscript
R) and a dissipative part (superscript
D) according to their time reversal behavior.
As discussed in “
Active transport and stress” section, we have written the transport terms using the mean velocity, while additions are provided by the reversible parts of the phenomenological currents given below. For the origin of the rather lengthy non-phenomenological expression in brackets in Eq.
29 cf. Pleiner et al. (
1996,
2004). The dynamic equation for
F is
Ḟ
i
+
v
j
∇
j
F
i
−
F
j
ω
i
j
+
X
i
= 0 with
X
i
=
f
i
X +
F
Y
i
.
The source term in Eq.
28, the entropy production
R/
T, is zero for reversible processes and positive for dissipative ones. With the help of the Gibbs relation, we get for
R as a bilinear function of dissipative currents and generalized forces
$$\begin{array}{@{}rcl@{}} \int R_{\sigma} \,dV &=& \int dV\left( - j_{i}^{\sigma, D} \nabla_{i} T - j_{i}^{\phi,D} \nabla_{i} (\Pi/\rho) - \sigma_{ij}^{D} A_{ij}\right. \\ &&+\left. {Y_{i}^{D}} h_{i} + X^{D} m + W_{ij}^{D} \Xi_{ij} \,+\, {Z_{i}^{D}} \Sigma_{i} \right) \!>\!0 \quad \end{array} $$
(32)
Within linear irreversible thermodynamics, currents, and forces are linearly related, which allows us to use the dissipation function,
R, written as a harmonic function of the forces alone, as a potential. In particular, using symmetry arguments again, we find
$$\begin{array}{@{}rcl@{}} 2R &=& \kappa_{ij} (\nabla_{i} T)(\nabla_{j} T) + D_{ij} (\nabla_{i} \Pi^{\prime})(\nabla_{j} \Pi^{\prime}) \\ &&+ \xi_{ijklpq}(\nabla_{k}\Xi_{ip})(\nabla_{l}\Xi_{jq}\!) \,+\, \tau^{D} \delta_{ij}^{\perp} \Sigma_{i}\Sigma_{j} \,+\, b^{D} \delta_{ij}^{\perp} \, h_{i} h_{j} \\ &&+ \nu_{ijkl} A_{ij} A_{kl} + \xi^{\prime} m^{2} + 2\mu_{ijk}^{T} A_{ij} \nabla_{k} T \\ &&+ 2 \mu_{ijk}^{\Pi} A_{ij} \nabla_{k} \Pi^{\prime} +2\mu_{ijklm}^{\Xi} A_{ij} \nabla_{l} \Xi_{km} \\ &&+ 2 D_{ij}^{T} (\nabla_{i} \Pi^{\prime})(\nabla_{j} T) + 2\xi^{T}_{ijkl}(\nabla_{i}T)(\nabla_{k}\Xi_{jl}) \\ &&+ 2\xi^{\Pi}_{ijkl}(\nabla_{i} \Pi^{\prime})(\nabla_{k}\Xi_{jl})+2 \xi \delta^{\bot}_{ij} \Sigma_{i}h_{j} \\ &&+ \tau_{ijkl} \Xi_{ij} \Xi_{kl} + 2\Xi_{ij} \left( \tau^{T}_{ij} \delta T + \tau_{ij}^{\Pi} \delta \Pi^{\prime} + \tau_{ij}^{m} m\right) \end{array} $$
(33)
and the dissipative currents are obtained as partial or functional derivatives, e.g.,
X
D
=
∂
R/
∂
m,
\(j_{i}^{\sigma ,D} = - \partial R / \partial \nabla _{i} T\) or
\(W_{ij}^{D} = {\delta R/\delta \Xi _{ij}} = {\partial R/\partial \Xi _{ij}} -\nabla _{k}\partial R/\partial \nabla _{k}\Xi _{ij}\) etc.. We do not write down here the explicit expressions for the dissipative currents, and only provide them when necessary.
The second rank tensors have the form of Eq.
22, the third rank ones are as in Eq.
23, the fourth-order tensors
ν
i
j
k
l
and
τ
i
j
k
l
have the same form as the elasticity tensor Eq.
25 and the fourth rank tensors
\(\xi _{ijkl}^{T}\) and
\(\xi _{ijkl}^{\Pi }\) take the form given in Eq.
24. The structure of the fifth rank tensor
\(\mu _{ijklm}^{\Xi }\) and the sixth rank tensor
ξ
i
j
k
l
p
q
will be elucidated in Appendix
B.
The dissipation function contains the relaxations of the order parameter (
ξ′), of elastic strains (
τ
i
j
k
l
), and of relative rotations (
τ
D
), already discussed in “
Key aspects” section, as well as heat conduction (
κ
i
j
), active concentration diffusion (
D
i
j
), viscosity (
ν
i
j
k
l
), and rotational viscosity of the polar direction (
b
D
). There are various interesting cross-couplings, thermo-diffusion (
\(D_{ij}^{T}\)); thermo-strain diffusion (
\(\xi _{ijkl}^{T}\)); solutal-strain diffusion
\(\left (\xi _{ijkl}^{\Pi }\right )\); couplings of flow to temperature (
\(\mu _{ijk}^{T}\)), to osmotic pressure
\(\left (\mu _{ijk}^{\Pi }\right )\), and to strain diffusion
\(\left (\mu _{ijklm}^{\Xi }\right )\); couplings of strain relaxation to temperature
\(\left (\tau _{ij}^{T}\right )\), to concentration
\(\left (\tau _{ij}^{\Pi }\right )\), and to order parameter
\(\left (\tau _{ij}^{m}\right )\); and a coupling between relative rotations and polar orientations (
ξ). The dissipative flow couplings
\(\left (\mu _{ijk}^{T,\Pi }\right )\) and
\(\left (\mu _{ijklm}^{\Xi }\right )\) are specific for a dynamic polar system and are absent in, e.g., passive nematic elastomers. The strain diffusion (
ξ
i
j
k
l
p
q
) is a sixth rank tensor with 16 independent coefficients whose detailed structure will be given in Appendix
B.
The reversible parts of the phenomenological currents cannot be derived from a potential. Rather, one writes down all terms that are possible by symmetry and makes sure that appropriate cross-coupling terms cancel each other in the entropy production
$$\begin{array}{@{}rcl@{}} 0&=& \int dV\left( - j_{i}^{\sigma, R} \nabla_{i} T - j_{i}^{\phi,R} \nabla_{i} (\Pi/\rho) - \sigma_{ij}^{R} A_{ij} \right.\\ &&\left. \hspace{0.5cm} + {Y_{i}^{R}} h_{i} + X^{R} m + W_{ij}^{R} \Xi_{ij} + {Z_{i}^{R}} \Sigma_{i} \right) \quad \end{array} $$
(34)
Neglecting some higher order gradient terms, we find
$$\begin{array}{@{}rcl@{}} j_{i}^{\sigma,R} &=& \beta_{\parallel} f_{i} m + \beta_{\bot} \delta_{ij}^{\bot} h_{j} + \beta_{\bot}^{\Omega} \delta_{ij}^{\bot} \Sigma_{j} \ \end{array} $$
(35)
$$\begin{array}{@{}rcl@{}} j_{i}^{\phi,R} &=& \gamma_{\parallel} f_{i} m + \gamma_{\bot} \delta_{ij}^{\bot} h_{j} + \gamma_{\bot}^{\Omega} \delta_{ij}^{\bot} \Sigma_{j} \end{array} $$
(36)
$$\begin{array}{@{}rcl@{}} \sigma_{ij}^{R} &=& a_{ij} m + \lambda_{ijk} h_{k} + \lambda_{ijk}^{\Omega} \Sigma_{k} \end{array} $$
(37)
$$\begin{array}{@{}rcl@{}} {Y_{i}^{R}} &=& \delta_{ij}^{\bot} \left( \beta_{\bot} \nabla_{j} T + \gamma_{\bot} \nabla_{j} \Pi^{\prime} + \beta_{1} \nabla_{j} m + \beta^{W}_{kl} \nabla_{k} \Xi_{jl} \right) \\ &&+ \lambda_{kji} A_{jk} + Y_{i}^{Rnl} \end{array} $$
(38)
$$\begin{array}{@{}rcl@{}} X^{R} &=& \beta_{\parallel} f_{i} \nabla_{i} T + \gamma_{\parallel} f_{i} \nabla_{i} \Pi^{\prime} + a_{ij} A_{ij} + \beta_{1} \delta_{ij}^{\bot} \nabla_{j} h_{i} \quad\quad \\ &&+ \beta_{1}^{\Omega} \delta_{ij}^{\bot} \nabla_{i} \Sigma_{j} + \tilde \beta_{kl}^{W} f_{i} \nabla_{k} \Xi_{il} + X^{Rnl} \end{array} $$
(39)
$$\begin{array}{@{}rcl@{}} {Z_{i}^{R}} &=& \delta_{ij}^{\bot}\left( \beta_{\bot}^{\Omega} \nabla_{j} T + \gamma_{\bot}^{\Omega} \nabla_{j} \Pi^{\prime} + \beta_{1}^{\Omega} \nabla_{j} m\right) \\ &&+ \beta^{\Omega}_{kl} \delta_{ij}^{\bot} \nabla_{k} \Xi_{jl} +\lambda_{kji}^{\Omega} A_{jk} + Z_{i}^{Rnl} \end{array} $$
(40)
$$\begin{array}{@{}rcl@{}} W_{ij}^{R} &=& \tfrac12 \left( \tilde\beta_{kj}^{W} f_{i} + \tilde\beta_{ki}^{W} f_{j} \right) \nabla_{k} m \\ &&+ \tfrac12 \left( \delta_{ik}^{\bot} \beta^{W}_{jl} + \delta_{jk}^{\bot} \beta_{il}^{W} \right) \nabla_{l} h_{k} \\ &&+ \tfrac12 \left( \delta_{ik}^{\bot} \beta_{jl}^{\Omega} + \delta_{jk}^{\bot} \beta_{il}^{\Omega} \right) \nabla_{l} \Sigma_{k} +W_{ij}^{Rnl} \end{array} $$
(41)
with the second rank tensors of the form of Eq.
22, and the generalized flow alignment tensors are
$$\begin{array}{@{}rcl@{}} \lambda_{ijk} &=& \lambda \left( \delta_{ik}^{\bot} f_{j} + \delta_{jk}^{\bot} f_{i}\right) \end{array} $$
(42)
$$\begin{array}{@{}rcl@{}} \lambda_{ijk}^{\Omega} &=& \lambda^{\Omega} \left( \delta_{ik}^{\bot} f_{j} + \delta_{jk}^{\bot} f_{i}\right) \end{array} $$
(43)
Relative rotations couple reversibly to all other variables (
\(\beta _{\perp }^{\Omega },\gamma _{\perp }^{\Omega },\lambda _{ijk}^{\Omega },\beta _{1}^{\Omega },\beta ^{\Omega }_{kl}\)), except to reorientations of the preferred direction. The latter couple to the elastic degree of freedom (
\(\beta ^{W}_{kl}\)) as does the order parameter (
\(\beta _{1kl}^{W}\)). All other terms are already present in systems with dynamic polar order in a simple fluid background (Brand et al.
2013). Among them is the so-called active term (
a
i
j
in the stress term) mentioned in “
Active transport and stress” section and discussed in detail in (Brand et al.
2014).
The nonlinear term
\(W_{ij}^{Rnl}\) has been used in ‘‘
Viscoelasticity” section to show that it modifies the transport velocities of the elastic strain tensor. The counter terms are ∼
β
7 and ∼
β
8 in Eq.
45. Similarly,
$$\begin{array}{@{}rcl@{}} Y_{i}^{Rnl} &=& \beta_{3} \delta_{ik}^{\bot} f_{j} (\nabla_{j} F_{k} ) \,m + \beta_{4} \delta_{ik}^{\bot} f_{j} \omega_{kj}\, m \end{array} $$
(44)
$$\begin{array}{@{}rcl@{}} X^{Rnl} &=& \beta_{3} \delta_{ik}^{\bot} f_{j} (\nabla_{j} F_{k} ) h_{i} + \beta_{4} \delta_{ik}^{\bot} f_{j} \, \omega_{jk} h_{i} \\ &&+ 2 \beta_{7} f_{k} \nabla_{i} (\Xi_{ij} \varepsilon_{kj}) - \beta_{8} \Xi_{ij}f_{k} \nabla_{k} \varepsilon_{ij} \\ &&- \beta_{5} f_{k} \Sigma_{i} \nabla_{k} \tilde \Omega_{i} \end{array} $$
(45)
$$\begin{array}{@{}rcl@{}} Z_{i}^{Rnl} &=& \beta_{5} m f_{k} \nabla_{k} \tilde \Omega_{i} \end{array} $$
(46)
and
β
5 adds to the advective velocity of relative rotations in Eq.
11, while
β
3 and
β
4 contribute to the advective and convective velocity of
f
i
, Eq.
31 respectively.