Adjoint-based Control of Three Dimensional Stokes Droplets

2025-05-06 0 0 1.49MB 31 页 10玖币
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Adjoint-based Control of Three Dimensional Stokes Droplets
Alexandru Fikla,, Daniel J. Bodonya
aDepartment of Aerospace Engineering, University of Illinois Urbana-Champaign, Urbana, IL 61801, United States
Abstract
We develop a continuous adjoint formulation and implementation for controlling the deformation of clean, neutrally
buoyant droplets in Stokes flow through farfield velocity boundary conditions. The focus is on dynamics where surface
tension plays an important role through the Young-Laplace law. To perform the optimization, we require access to
first-order gradient information, which we obtain from the linearized sensitivity equations and their corresponding
adjoint by applying shape calculus to the space-time tube formed by the interface evolution. We show that the adjoint
evolution equation can be eciently expressed through a scalar adjoint transverse field. The optimal control problem
is discretized by high-order boundary integral methods using Quadrature by Expansion coupled with a spherical
harmonic representation of the droplet surface geometry. We show the accuracy and stability of the scheme on several
tracking-type control problems.
Keywords: Stokes flow, Droplets, Optimal control, Shape optimization.
1. Introduction
In many droplet-based microfluidic processes and applications, the precise shape and position of the droplets over
time plays a significant role in the performance and eciency of the system. A standard simplified model for such
problems consists of the two-phase Stokes equations coupled with interfacial forces (surface tension) or additional
surfactants and gravity (several concrete examples can be found in [1]). Optimizing aspects of this type of system
is our focus. However, other types of interface evolution share similar features, e.g. mean curvature flows [2, 3],
fluid-structure interactions or free surface flows, and can be analyzed by similar methods.
In general, the application of the continuous or discrete adjoint method to the field of optimal control has been
very successful, with applications to fluid mechanics starting from [4]. However, applications to two-phase flows are
rare due, in part, to the fact that the field itself remains an active area of research. Phase-field-type models present a
compelling starting point, as the fields representing the flow quantities are smooth and classic approaches to adjoint
methods can be applied. For example, in [5, 6, 7] the Cahn–Hilliard equations are coupled with the incompressible
Navier–Stokes equations and the corresponding optimal control problem is solved. On the other-hand, sharp interface
Corresponding Author
Email address: fikl2@illinois.edu (Alexandru Fikl)
Preprint submitted to Journal of Computational Physics October 24, 2022
arXiv:2210.11916v1 [physics.comp-ph] 21 Oct 2022
models (see [8]) are dicult to handle due to the discontinuities of the state variables and material quantities. Further-
more, incorporating interface jump conditions containing higher-order derivatives of the geometry (mainly curvature)
is problematic, see [9]. Work on two-phase problems has also advanced in recent years, with applications to fluid-
structure interactions [10], two-phase Stefan equations [11], free-surface flows [12, 13], geometric flows [14, 15], etc.
Initial extensions to the incompressible two-phase Navier–Stokes with Volume-of-Fluid formulation are presented
in [16, 17].
In this paper, we extend the work presented initially in [18]. The focus of the previous work was on the optimal
control of a single droplet under axisymmetric assumptions. We relax these assumptions and extend the applica-
tions to fully three-dimensional problems with multiple droplets. While applications to scenarios of practical interest,
where hundreds or thousands of droplets are present in the system, are still prohibitively expensive, we present several
improvements. First, we show that the vector adjoint evolution equation from [18] can be transformed into a scalar
evolution equation for the normal component only. This is a significant reduction in cost, especially in three dimen-
sions. Furthermore, we make use of state-of-the art methods for solving boundary integral equations to improve the
general performance of the Stokes solver itself. In this work, the Quadrature by Expansion method [19] is used, for
which accurate Fast Multipole Methods have been developed [20]. This allows constructing a fast solver that scales
approximately linearly in the number of degrees of freedom.
The outline of the paper is as follows. We start in Section 2 with a description of the two-phase control problem,
focusing on the constraints and the cost functional. In Section 3, we present the main ideas behind applying shape
calculus to PDEs on moving domains. These concepts are applied to deriving the linearized and adjoint equations
for the control problem. In Section 4, we present a discretization of the state and adjoint systems through a coupled
representation by boundary integral methods (for the Stokes problem) and spherical harmonics (for the geometry).
Finally, Section 5 presents several verification tests and applications to three-dimensional multi-droplet systems. We
conclude with some remarks in Section 6.
2. Control of Two-Phase Stokes Flow
In this paper we will consider the evolution of a system of droplets in an otherwise infinite domain. To this end,
we define an open finite domain Rd, where d=3, and its complement +,Rd\¯
to denote the interior of
the droplets and the surrounding fluid, respectively. The droplet surface Σ,¯
+¯
+is assumed to be a finite set of
disjoint, closed, bounded, and orientable surfaces at each instance of time (see Figure 1).
The interface Σ(t) is the focus in the control of two-phase flows. As such, we define D ⊂ Rdas a bounded open
set which will contain all admissible interface configurations Σ(t) for our problem. The general optimization problem
we will be looking at pertains to evolutions equations of the form
˙
X=V(t,X(t),g),t[0,T],
X(0) =X0,
(1)
2
+
Σ
Figure 1: Example droplet configuration.
where X(t) D is a parametrization of the interface Σ(t) and grepresents a chosen control. For suciently smooth
right-hand sides, we can define a transformation T(V) : D→Dby X(t)=T(V)(X0) for every flow V. We can
then follow the results from [21] to derive evolution equations for the linearized problem, the adjoint problem and
ultimately an expression for the adjoint-based gradient. This will be discussed in detail in Section 3.
2.1. Quasi-static Two-Phase Stokes Flow
We consider the quasi-static evolution of multiple droplets in a viscous incompressible flow. The droplets experi-
ence no phase change, but are driven by surface tension forces at the fluid-fluid interface. In each phase, the fluid is
described by the velocity fields u±:±Rdand the pressures p±:±R+. Assuming a low-Reynolds number,
the equations governing the flow are the two-phase Stokes equations
∇ · u±=0,x±(t),
∇ · σ±[u,p]=0,x±(t),
u+u(g),kxk→∞,
(2)
where udefines an intended decay at infinity of the velocity field u+. The full velocity field uis to be understood as
a superposition of uand a flow that decays to zero in the farfield. The Cauchy stress tensor σ±and the rate of strain
tensor ε±are written as
σ±[u,p],p±I+2µ±ε±[u],
ε±[u],1
2(u±+uT
±),
where µ±R+are the dynamic viscosities of each fluid. We will assume that the surface forces are entirely due
to a constant surface tension. The boundary conditions at the drop surface are the continuity of velocity and the
Young-Laplace law, i.e.
JuK=0,
Jn·σ[u,p]K=γκn,
(3)
3
where γis a constant surface tension coecient, κis the total curvature (sum of the principal curvatures) and nis the
exterior normal to . The jump at the interface is defined as
JfK,f(x+)f(x),where f(x±),lim
0+f(x±n).
The equations are non-dimensionalized by making use of a characteristic velocity magnitude Uand a characteristic
droplet radius R. The resulting non-dimensional parameters are the viscosity ratio λand the Capillary number Ca,
λ,µ
µ+
and Ca ,µ+U
γ,
The non-dimensional equations will be used going forward. In this form, non-dimensional weighted jump and
average operators are defined as
JfKλ,f(x+)λf(x) and hfiλ,1
2(f(x+)+λf(x)).
In order to evolve the interface in time, we use a quasi-static approach in which we first compute the velocity
from (2) and then displace the interface using the ODE from (1). For Stokes flow, the motion law is given by
V(u,X),(u·n)n+(Inn)w,(4)
which is well-defined since JuK=0 allows for a unique interface velocity field. At a continuous level, only the
normal component of the velocity is necessary to define the deformation of the interface. Tangential components from
w: [0,T]×R3R3can be seen as reparametrizations and represent the same abstract shape. They become important
in the discretization stage, as discussed in Section 4, and should be included in the adjoint to obtain accurate gradients.
2.2. Cost Functionals
Our goal is to find controls g(from (1)) that minimize a class of tracking-type cost functionals. The general form
of the cost functionals we will be looking at is
J(g),α1
2ZT
0ZΣ(t)
(u·nud)2dSdt+α2
2ZT
0kxc(t)xd(t)k2dt+α3
2kxc(T)xd,Tk2,(5)
where udis a target surface normal velocity field, while xd(t) and xd,Tare target droplets centroids. We mainly consider
the droplet centroids as a way to describe the position, but any quantity that is invariant to reparametrizations can be
used. This assumption can be relaxed by considering reparametrizations as described in [22]. Then, we consider the
optimization problem
min J(g),
subject to (1) (with (4)), (2) and (3).
(6)
The main control variable we will be focusing on are the farfield boundary conditions u(g). For finite domains,
this is a straightforward choice. However, as the farfield boundary conditions are used to impose a decay in the
velocity field, further discussion is required (see Section 3).
4
In the absence of an evolution equation, such as (1), we can consider a static system. In this case, the interface X
becomes the control and we are left with a standard shape optimization problem. As shown in [18], the static problem
is an important stepping stone in deriving and verifying the required optimality conditions. We will be making use of
the static problem to verify the adjoint equations for the three-dimensional problem presented here as well.
3. Cost Gradients
To understand the optimization problem proposed by (6), we must introduce several important notions from shape
calculus and more general perturbations of moving domains. These ideas are detailed in [21]. First, for an initial
configuration 0and interface Σ0, we define the space-time tubes on R+×Rd, corresponding to a velocity field V, by
(see also Figure 2)
(V),[
t[0,T]{t} × (t)=[
t[0,T]{t} × T(V)(0),
Σ(V),[
t[0,T]{t} × Σ(t)=[
t[0,T]{t} × T(V)(Σ0).
x
t
y(0)
(t)
(T)
Σ(0)
Σ(t)
Σ(T)
(V)Σ(V)
Figure 2: Schematic of the (two-dimensional) (V) and Σ(V) space-times tubes and transverse slices (t) (blue) and Σ(t) (red) at fixed times t.
The perturbations ˜
Vonly act in the transverse direction (gray slices).
A perturbation in the control gcan then be seen as giving rise to a perturbed space-time tube (V). Perturbations
obtained in this way are called transverse because they occur only in “horizontal” slices of each (t) domain for fixed
t. This allows recovering most of the classic formulae from shape calculus in the context of moving domains. To
5
摘要:

Adjoint-basedControlofThreeDimensionalStokesDropletsAlexandruFikla,,DanielJ.BodonyaaDepartmentofAerospaceEngineering,UniversityofIllinoisUrbana-Champaign,Urbana,IL61801,UnitedStatesAbstractWedevelopacontinuousadjointformulationandimplementationforcontrollingthedeformationofclean,neutrallybuoyantdro...

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