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. 2024 Mar 23;89(2):49. doi: 10.1007/s00245-024-10117-6

Shape-Programming in Hyperelasticity Through Differential Growth

Rogelio Ortigosa-Martínez 1, Jesús Martínez-Frutos 2, Carlos Mora-Corral 3,4, Pablo Pedregal 5, Francisco Periago 1,
PMCID: PMC10960783  PMID: 38528936

Abstract

This paper is concerned with the growth-driven shape-programming problem, which involves determining a growth tensor that can produce a deformation on a hyperelastic body reaching a given target shape. We consider the two cases of globally compatible growth, where the growth tensor is a deformation gradient over the undeformed domain, and the incompatible one, which discards such hypothesis. We formulate the problem within the framework of optimal control theory in hyperelasticity. The Hausdorff distance is used to quantify dissimilarities between shapes; the complexity of the actuation is incorporated in the cost functional as well. Boundary conditions and external loads are allowed in the state law, thus extending previous works where the stress-free hypothesis turns out to be essential. A rigorous mathematical analysis is then carried out to prove the well-posedness of the problem. The numerical approximation is performed using gradient-based optimisation algorithms. Our main goal in this part is to show the possibility to apply inverse techniques for the numerical approximation of this problem, which allows us to address more generic situations than those covered by analytical approaches. Several numerical experiments for beam-like and shell-type geometries illustrate the performance of the proposed numerical scheme.

Keywords: Soft robotics, Differential growth, Hyperelasticity, Shape-programming, Optimal control, Numerical simulation methods

Introduction

Soft robotics is a biologically-inspired groundbreaking technology that aims to mimic mechanical deformations, which take place in humans, animals, or plants, through actuated soft materials: dielectric elastomers or magneto-active polymers, for instance. Several actuation mechanisms, such as fluidic, heat, electric, or magnetic, may be used to control these materials [1]. The range of potential applications of this new generation of robots includes, among many others, medical assistance and ocean exploration [2, 3].

In addition to the development of new manufacturing technologies, mathematical modelling, analysis, and numerical simulation are tools of paramount importance to speed up progress in this field. Being composed of soft matter, nonlinear continuum mechanics is the appropriate physical theory to model the kinematics and dynamics of these materials. However, the mathematical control theory of hyperelastic materials is scarce. Indeed, the first mathematically rigorous study for control problems in the hyperelasticity setting appears to be [4]. More recently, several papers have addressed the control of soft materials from the viewpoints of mathematical analysis and numerical simulation [59]. See also [10] for a recent survey.

Growth is another biological process susceptible to being mimicked by artificial soft materials. As a matter of fact, [11] reports on a class of soft pneumatic robots whose movements are driven by growth. As for the mathematical modelling of growth, A. Goriley provides, in his seminal book [12], the required ingredients. Doubtless, the topic of mathematical analysis and numerical simulation of growth control is in its infancy, insofar as the mathematical analysis of soft materials actuated by growth is missing in the literature, and only a few works have addressed the numerical simulation counterpart. In this regard, it is worth mentioning [13, 14]. Both papers tackle the so-called shape-morphing problem, where the goal is to find the growth tensor that can produce the deformation of a given soft continuum to a desired shape. The paper [13] copes with the complexity of the activation as well, and provides explicit solutions in the case of affine shape changes. In a complementary manner, [14] focuses on the case of shells and also finds analytical solutions under the stress-free assumption.

Fostered by [13, 14], this paper sets up the shape-morphing problem within the framework of optimal control theory. Indeed, the control variable is the growth tensor. We consider both cases in which the growth tensor is globally compatible, meaning that it is a deformation gradient over the undeformed domain, and the incompatible one, where it is no longer a gradient. From the viewpoint of mathematical modelling, the former case is expressed as the composition of two mechanical deformations: one of them accounts for growth and the other one incorporates boundary conditions and other possible effects like external loads. The latter case relies on the theory of Morphoelasticity, where a local elastic tensor restores the compatibility that is lost by the growth tensor. The state variable is the deformation of the actuated soft continuum. As usual in hyperelasticity theory, that deformation is a minimiser of a polyconvex energy functional. The cost function uses the Hausdorff distance to account for dissimilarities between the desired shape and the final configuration. It also includes a term to deal with the complexity of the activation. In our work, we do not neeed the stress-free hypothesis of [14].

The outline of this paper is as follows. Section 2 contains the modelling details. Section 3 performs a rigorous mathematical analysis of the shape-programming problem in the globally compatible case, which is more involved analytically than the incompatible one. More precisely, firstly, we prove that, for a given growth tensor, there exist minimisers of the underlying energy functional. Secondly, we establish the existence of solutions for the optimal control problem. We rely on the Direct Method of Calculus of Variations in both cases. Section 4 straightforwardly extends these existence results to the incompatible case. Eventually, Sect. 5 addresses the numerical approximation of the shape-programming problem. Our purpose here is to show how inverse techniques may be used for the numerical resolution of this problem, thus addressing more generic situations than those covered by analytical approaches. We adopt a pragmatic point of view in this part as we are not concerned about the compatible or incompatible nature of the growth tensor; in practise, this amounts to accept the incompatibility and, hence, the study lies in the theory of Morphoelasticity. Likewise, we take the right Cauchy–Green deformation tensor as the main variable since, by a suitable parametrisation, it highly simplifies the numerical approximation of the problem. We also derive explicit formulae for the gradients of the functional involved, and transfer those to cutting-edge optimization algorithms that use gradients, in particular, the interior-point method, to obtain the desired solutions. Several numerical examples for beam-like and shell-type applications, as well as a problem converting a square into a circular geometry, illustrate the performance of the proposed numerical scheme.

Problem Setting

Modelling Differential Growth in Nonlinear Elasticity

Let Ω0RN, N=2,3, be an open, bounded and connected domain which represents the reference (or undeformed) configuration of an elastic and soft body. If Ω0 experiences a growth effect (as happens in plants or in human tissues, for instance), then it changes its size or shape.

There are two ways to understand and model this phenomenon. In the first, we postulate that there is an underlying deformation that produces the growth. Let us then denote by Φg:Ω0RN the deformation mapping induced by this phenomenon, and by Ωg:=ΦgΩ0 the deformed body once growth has taken place. It is assumed that Φg is a Sobolev map. Although driven by growth, Φg is still assumed to be a mechanical deformation, hence it satisfies the properties required to any such deformation; in particular, it preserves the orientation and does not interpenetrate [15]. Let us denote by G=G(X) the deformation gradient tensor associated with Φg, i.e., G:=Φg, where is the material gradient operator with respect to XΩ0. The orientation-preserving condition is modeled with the constraint

detG(X)>0for almost everyXΩ0, 2.1

while the non-interpenetration is modelled by imposing that Φg is injective almost everywhere (hereafter abbreviated to a.e.), so that the restriction of Φg to the complement of a set of measure zero is injective [16].

For the second possibility, and according to the general modelling of growth and morphoelasticity in [12], the postulate that there is an underlying deformation Φg responsible for growth is discarded, so the tensor G is not assumed to come from any deformation, though still (2.1) is retained.

Since the first alternative is more involved analytically, we will keep our general discussion (this section and Sect. 3) in that context, and defer some comments on the second one (Sect. 4), once the main analysis has been performed. Even so, numerical experiments in Sect. 5 are explored in the morphoelasticity scenario.

Since Ωg is an elastic and soft material, it has an internal elastic energy, which is able to induce a new deformation Φe on the body Ωg. For this initial exposition of the problem, we can think that Φe is Lipschitz, but this assumption is not necessary in the analysis. Although, in principle, the elastic energy might depend on the configuration Ωg and the growth deformation Φg, this is not the case in the current context, since Φg represents a growth that does not change the elastic properties of the material. Thus, we assume that the constitutive parameters of the body occupying Ω0 and Ωg are the same. This assumption requires additionally that the body is homogeneous, i.e., its mechanical properties are the same at each point. This is modeled through an energy function that does not depend explicitly on material points and is the same for both configurations Ω0 and Ωg, regardless of the growth deformation Φg. This stored energy function is denoted by W0:R+N×NR, where R+N×N designates the set of square N×N matrices with strictly positive determinant. The precise assumptions on W0 will be listed in Sect. 2.3.

As is well known, equilibrium configurations Φe are minimisers of the functional

ΩgW0(Fe)dY 2.2

(to which one may add external forces) over a suitable class of admissible deformations to be specified later. Here Fe is the deformation gradient of the elastic deformation Φe. The variables in Ωg have been denoted by Y, while the variables in Ω0 by X, so that Y=Φg(X).

Taking into consideration both growth Φg and elastic Φe deformation, the total deformation Φ of the body Ω0 is expressed as the composition of both mappings, i.e., Φ=ΦeΦg. Accordingly, the deformation gradient tensor F associated with Φ is given by

F(X)=Fe(Φg(X))G(X), 2.3

where Fe is the deformation gradient of Φe.

The three maps involved, Φ, Φe and Φg, are assumed to be orientation-preserving and injective a.e. (see Fig. 1 for a graphical representation).

Fig. 1.

Fig. 1

The mapping Φ between reference Ω0 and deformed Ω configurations is expressed as the composition of the growth deformation Φg and the elastic deformation Φe

By (2.1) and the fact that Φg is injective a.e., the change of variables Y=Φg(X) allows rewriting (2.2) in the undeformed configuration Ω0 as

Ω0WG(X,F)dX, 2.4

where

WG(X,F):=W0(FG(X)-1)detG(X). 2.5

Note that the tensor G breaks the symmetries of W0. Indeed, if W0 has a symmetry group (for example, it is isotropic), then WG does not, in general.

Boundary conditions will be imposed in Φ, but not in Φg or Φe independently. We will assume that the boundary Γ0 of Ω0 is Lipschitz and is decomposed into two disjoint parts: Γ0D and Γ0N, with Γ0D of positive (N-1)-dimensional area. On the Dirichlet part Γ0D, it is imposed Φ=Φ¯ for a given deformation Φ¯:Ω0RN, while on Γ0N we prescribe the Piola–Kirchhoff stress vector s0:Γ0NRN. The latter is not explicitly stated in the admissible set but it is automatically satisfied for minimisers when the surface energy term

-Γ0Ns0·Φdσ(X) 2.6

is added to the total energy. The cases Γ0N= or s0=0 are not excluded. In fact, volume forces can also be added, whose simplest form is linear:

-Ω0f·ΦdX. 2.7

In view of (2.4), the total energy is

ΠGΦ=Ω0WGX,ΦdX-Ω0f·ΦdX-Γ0Ns0·Φdσ(X). 2.8

Other boundary conditions are also possible (see, e.g., [17, Ch. 5]), as well as more general external forces.

Finally, we fix an exponent p>1 related to the growth at infinity of the function W0 (see Sect. 2.3 for details) and define the class U of admissible deformations Φ in (2.8) as

U:=ΦW1,p(Ω0,RN):Φ=Φ¯onΓ0D,Φinjective, anddetΦ>0a.e.,

where W1,p is the notation for the Sobolev space. Naturally, we suppose that U is not empty and that ΠG is not identically infinity in U, which amounts to assuming that Φ¯U and ΠG(Φ¯)<.

Setting of the Shape-Programming Problem

Having in mind potential applications in soft robotics, the so-called shape-programming problem [14] amounts to finding the growth tensor field G in the initial configuration Ω0 such that the final configuration is as close as possible to a desired target configuration Ωtarget. Besides reaching this goal, and in order to facilitate its implementation in a possible soft robot, the computed growth tensor field should be as simple as possible.

Inspired by [13], a general form of a complexity functional should have a regularisation term (typically, a squared gradient of G) plus a term penalising the difference between the actual G and the target Gtarget; such target may well be the identity. These two ingredients should give rise to a simple growth tensor; indeed, the regularising term avoids oscillations, while the penalising term makes G similar to Gtarget, which is chosen to be simple, too. In Sect. 2.4 we will describe some possibilities of complexity functions, but for the moment we can think of the functional

α1Ω0G-Gtarget2dX+α2Ω0G2dX,

for α1,α2>0, and develop the mathematical theory for general functionals of the form

C(G):=Ω0ϕ(X,G)dX+α2Ω0G2dX

for a certain appropriate density ϕ. Here above, the norm of a second-order tensor A is defined by A2=i,j=1NAij2. Similarly is defined the norm of vectors and third-order tensors.

We will see in Sect. 3 that, in order to prove existence of minimisers ΦU of (2.8), one needs that G be in L and that detG is bounded away from zero. These facts are in agreement with the requirement that G is easily reachable. The most general way of expressing these assumptions is to fix a compact set KR+N×N and impose that

G(X)Kfor a.e.XΩ0.

Two relevant examples of the set K are

K={FRN×N:FManddetFm}

for some M,m>0, and

K={FR+N×N:m1σ(F)m2for any singular valueσofF}

for some 0<m1m2. In addition, one may want to model the growth given by G as incompressible; in this case, relevant sets K are

K={FRN×N:FManddetF=1}

and

{FRN×N:detF=1andm1σ(F)m2for any singular valueσofF}.

Concerning the goal that the final configuration is as close as possible to a desired one, there are several options as for the distance between shapes. The simplest, but least realistic, is to consider an L2 distance between the actual and a target deformation; the disadvantage of this choice is that, in general, a distance between deformations is only vaguely related to a distance between shapes. Introduced by [18] and analysed in [8], we consider instead the Hausdorff distance between the image domain and the target set as an adequate way of measuring distances between those sets. As in those works, we use in fact the following smooth approximation of the Hausdorff distance. Let Ω(G)=Φ(Ω0) be the image domain and Ωtarget the target domain. We fix three exponents α,β,γ>0 and a continuous and strictly decreasing function φ:[0,)(0,). We define

d~ΩGy=φ-11|ΩG|ΩGφαy-xdx1/α,yΩtarget,d~Ωtargetx=φ-11|Ωtarget|Ωtargetφαy-xdy1/α,xΩG,d~Ωtarget,ΩG:=1|Ωtarget|Ωtargetd~ΩGβ(y)dy1/β,d~ΩG,Ωtarget:=1|ΩG|ΩGd~Ωtargetβ(x)dx1/β

(where |A| is the volume of the set A), so that an approximation of the Hausdorff distance is

ρHΩG,Ωtarget=d~Ωtarget,ΩGγ+d~ΩG,Ωtargetγ1/γ. 2.9

Putting all things together, the formulation of the shape-programming problem is:

Minimise inG:JG:=ρHΩG,Ωtarget+CGsubject to:GH1Ω0;Kis the gradient of an a.e.\ injective map,ΩG=ΦΩ0, withΦUa minimiser of(2.8). 2.10

Choice of the Energy Density

The classical assumptions in nonlinear elasticity for the energy function are polyconvexity and coercivity [17, 19, 20]. To be precise, we will assume the following conditions for W0:

  1. W0 is polyconvex, i.e., there exists a convex function e:RN×N×RN×N×(0,)[0,] such that
    W0(F)=e(F,cofF,detF),FR+N×N. 2.11
    If N=2, the dependence on cofF can be dispensed with.
  2. There exist exponents pN-1 and qNN-1 with p>1, and a constant c>0 such that
    W0(F)cFp+cofFq-1c.
  3. W0(F) as detF0.

  4. For every compact KR+N×N there exists C>0 such that for all F1R+N×N and F2K we have
    W0(F1F2)C1+W0(F1).

Of course, cof denotes the cofactor matrix. Conditions (W1)–(W3) are standard [19, 21]. Condition (W2), in fact, implies that any ΦU with ΠG(Φ)< satisfies cofΦLq(Ω0,RN×N) and, thanks to a well-known inequality [21, Eq. (1.4)], detΦLNqN-1(Ω0). Condition (W4) is not standard, but a similar assumption has been used, e.g., in [22]. In the following lemma we show sufficient conditions for the fulfillment of (W4).

Lemma 2.1

The following statements hold:

  1. Let W0C(R+N×N,[0,)) be such that there exists C>0 for which
    W0F1F2C1+W0F11+W0F2,F1,F2R+N×N.
    Then W0 satisfies condition (W4).
  2. For i=1,2, let giC(R+N×N,[0,)) and g3C((0,),[0,)). Assume that there exists C>0 such that for all F1,F2R+N×N and t1,t2>0,
    giF1F2C1+giF11+giF2
    and
    g3t1t2C1+g3t11+g3t2.
    Let mR. Then the function
    W0F=g1F+g2cofF+g3detF+m
    satisfies condition (W4) whenever W00.
  3. For i=1,2,3, let hiC((0,),[0,)). Assume that there exists C>0 such that for all t1,t2>0,
    hit1t2C1+hit11+hit2. 2.12
    If h1,h2 are monotone increasing, and mR, then the function
    W0F=h1F+h2cofF+h3detF+m
    satisfies condition (W4) whenever W00.
  4. Let a,b,c>0. Then the function
    W0(F)=aF2+bcofF2+cdetF-12-2(a+2b)log(detF)-3(a+b) 2.13
    satisfies condition (W4).

Proof

Part (a). Let KR+N×N be compact. Let F1R+N×N and F2K. Then

W0F1F2C1+W0F11+W0F2C1+W0L(K)1+W0F1.

Part (b). For any F1,F2R+N×N,

g1F1F2C1+g1F11+g1F2C1+W0F1-m1+W0F2-m,

and, analogously,

g2cof(F1F2)C1+W0F1-m1+W0F2-m,g3det(F1F2)C1+W0F1-m1+W0F2-m.

Therefore,

W0F1F23C1+W0F1-m1+W0F2-m+m.

If m0 then

W0F1F23C1+W0F11+W0F2+m3C+m1+W0F11+W0F2,

while if m<0 then

W0F1F23C1+W0F1-m1+W0F2-m3C1+W0F11+W0F2,

so W0 satisfies the assumptions of part (a).

Part (c). We define for i=1,2,

gi(F)=hiF,FR+N×N

and g3=h3. Then, for F1,F2R+N×N we have

giF1F2=hiF1F2hiF1F2C1+giF11+giF2.

Thus, g1,g2,g3 and m satisfy the assumptions of part (b).

Part (d). Define

h1(t)=at2,h2(t)=bt2,h3(t)=c(t-1)2-2(a+2b)logt+Aandm=-3(a+b)-A,

where AR is chosen so that h30. Then,

h1(t1t2)=at12t22=1ah1(t1)h1(t2)1a1+h(t1)1+h(t2).

An analogous bound holds for h2.

As for h3, it is easy to check that there exist a1,a2,b2,c1,c2>0 such that

-a1logth3(t)-a2logtif0<t<12,h3(t)b2if12t2,c1t2h3(t)c2t2ift>2.

We argue by cases so as to show inequality (2.12) for h3. If t1,t2<12,

h3(t1t2)-a2log(t1t2)=a2-logt1-logt2a2a1h3(t1)+h3(t2)a2a11+h3(t1)1+h3(t2).

If t1<12t22 and t1t2<12,

h3(t1t2)a2-logt1-logt2a21a1h3(t1)+log2a21a1+log21+h3(t1)1+h3(t2).

If 12t1t22,

h3(t1t2)b2b21+h3(t1)1+h3(t2).

If t1<12<2<t2 and t1t2<12,

h3(t1t2)a2-logt1-logt2a2a1h3(t1)a2a11+h3(t1)1+h3(t2).

If t1<12<2<t2 and t1t2>2,

h3(t1t2)c2t12t22c24c1h3(t2)c24c11+h3(t1)1+h3(t2).

If 12t1,t22 and t1t2<12,

h3(t1t2)a2-logt1-logt22a2log22a2log21+h3(t1)1+h3(t2).

If 12t1,t22 and t1t2>2,

h3(t1t2)c2t12t22c2b24c2b241+h3(t1)1+h3(t2).

If 12t12<t2 and t1t2>2,

h3(t1t2)c2t12t224c2c1h3(t2)4c2c11+h3(t1)1+h3(t2).

If t1,t2>2,

h3(t1t2)c2t12t22c2c12h3(t1)h2(t2)c2c121+h3(t1)1+h3(t2).

We have thus shown that h1,h2,h3 and m satisfy the assumptions of part (c).

Condition (a) of Lemma 2.1 appears in [22, Rk. 2.3]. It turns out that there are many useful examples of energy densities satisfying (W1)–(W4) that are widely used in nonlinear elasticity (see, e.g., [17, 19]). For example, condition (W1) is fulfilled when assumption (c) in Lemma 2.1 holds with hi convex, while conditions (W2)–(W3) are, in general, easy to verify.

The numerical simulations of Sect. 5 will use the Mooney–Rivlin material in (2.13) when N=3. In this section we have shown that this W0 satisfies conditions (W1) and (W4). Condition (W3), on the other hand, is clear, while condition (W2) is easily seen to hold for the exponents p=q=2.

Choices of Complexity Functionals

The work [13] introduces some examples of complexity functionals in the context of different active materials. In the presence of isotropy, their functionals are based on the right Cauchy–Green deformation tensor Cg=GTG associated with growth. However, we have found several advantages to treat G, as opposed to Cg as the main variable. Indeed, dealing with Cg involves the use of the so-called intrinsic elasticity [23, Sect. 4.2] and needs to incorporate the constraint that Cg is a metric tensor, which is difficult to handle.

One of the examples presented in [13] is

C1Cg:=α1Ω0Cg-Ctarget2dX+α2Ω0Cg2dX, 2.14

with Ctarget a given target and α1,α2>0 weighting parameters. Although not explicitly mentioned in [13], similar in spirit is the functional

C2Cg:=α1Ω0CgdetCg1/N-Ctarget2dX+α2Ω0Cg2dX, 2.15

with detCtarget=1, in which the penalizing term only accounts for the dissimilarity of Cg from Ctarget in shape but not in volume. Since in our context, we have decided to work with G as the main variable, the counterparts of C1 and C2 are

C¯1G:=α1Ω0distG,SO(N)Gtarget2dX+α2Ω0G2dX,

and

C¯2G:=α1Ω0distGdetG1/N,SO(N)Gtarget2dX+α2Ω0G2dX,

respectively, for a given target Gtarget, which in C¯2 satisfies detGtarget=1. Here SO(N) denotes the set of (proper) rotations, and dist the distance between a matrix a set of matrices, i.e., the minimum distance between the matrix and any element of the set of matrices. Note that in C¯1 we wrote dist(G,SO(N)Gtarget) instead of G-Gtarget to guarantee frame-indifference and isotropy. Analogously for C¯2.

A final comment refers to the regularising term with integrand G2 that is to be used in any complexity functional involved. As a matter of fact, from a practical point of view, it may be advantageous to substitute it by a standard regularising Helmholtz filter G^ of the form

G^-l2ΔG^=GinΩ0,G^·N=0onΩ0. 2.16

Here l>0 acts as a length-scale parameter controlling the amplitude of the regularisation, Δ denotes the Laplacian operator, and N stands for the outer unit normal vector to Ω0. In this case, we replace the term

Ω0G2dX

by the L2-norm of G^. Note that the operation GG~ enjoys much better analytical properties than GG: the former is a compact operation with nice properties even from the approximation perspective, while the latter is not even continuous. In addition, as just remarked, parameter l can be directly associated with the length-scale of the regularization, a feature that is very convenient form the practical viewpoint. At any rate, this filter has performed quite well in the simulations below. In fact, a different version of the Helmholtz filter more suitable for the implementation will be finally adopted in the numerical simulations. We will explain later how to adapt the proof of existence to these cases.

Mathematical Analysis

This section aims at providing a rigorous mathematical analysis of the shape programming problem (2.10). We shall proceed in two steps. We will first prove that for a given growth tensor G, there exist minimisers of (2.8). Then, existence of solutions for (2.10) is established.

The following lemma is an easy consequence of formula

A-1=cofATdetA,AR+N×N.

Lemma 3.1

Let KR+N×N be compact. Then there exist compact sets K1R+N×N and K2(0,) such that for all GL(Ω0,K) we have cofG,G-1,cofG-1L(Ω0,K1) and detG,detG-1L(Ω0,K2). Moreover, if {Gj}jN is a sequence in L(Ω0,K) such that

GjGa.e.

then

cofGjcofGanddetGjdetGa.e. 3.1

and

Gj-1G-1,cofGj-1cofG-1anddetGj-1detG-1a.e. 3.2

The following lower semicontinuity result will help in the final steps of the main proof. Recall that for each measurable G:Ω0R+N×N, the function WG:Ω0×R+N×NR{} is defined as in (2.5).

Lemma 3.2

Let W0:R+N×NR{} satisfy conditions (W1)–(W3) of Sect. 2.3. Let {Φj}jN be a sequence in U such that

ΦjΦ,cofΦjcofΦ,detΦjdetΦinL1(Ω0).

Let KR+N×N be compact and let {Gj}jN be a sequence in L(Ω0,K) such that

GjGa.e.

Then

Ω0WG(X,Φ)dXlim infjΩ0WGj(X,Φj)dX.

Proof

Lemma 3.1 yields convegences (3.1) and (3.2). By a standard fact on the product of two sequences, one factor converging weakly in L1 and the other one a.e. with and L bound (see, e.g., [24, Prop. 2.61]), we obtain thanks to Lemma 3.1 that

ΦjGj-1ΦG-1,cofΦjcofGj-1cofΦcofG-1,detΦjdetGj-1detΦdetG-1inL1(Ω0).

To sum up, we have the convergences

ΦjGj-1ΦG-1,cofΦjGj-1cofΦG-1,detΦjGj-1detΦG-1inL1(Ω0),

as well as detGjdetG a.e. with and L bound, which allows us to apply a standard lower semicontinuity result for polyconvex functions (see, e.g., [25, Th. 5.4] or [24, Cor. 7.9]) and conclude that

Ω0W0(X,ΦG-1)detGdXlim infjΩ0W0(X,ΦjGj-1)detGjdX.

This proves the result.

Existence of Φ Given G

Before presenting the existence theorems, we recall a property stating that the limit of injective a.e. functions is injective a.e.

Proposition 3.3

Let pN-1 and qNN-1. For each jN, let Φj,ΦW1,p(Ω0,RN) satisfy ΦjΦ a.e., detΦjdetΦ in L1(Ω0) and the sequence {cofΦj}jN is bounded in L1(Ω0,RN×N). Assume that cofΦjLq(Ω0,RN×N), Φj is injective a.e. with detΦj>0 a.e. for each jN, and detΦ>0 a.e. Then Φ is injective a.e.

Proof

Since pN-1 and qNN-1, by [21, Th. 3.2] (see also [16, Prop. 3]), the surface energy E¯ defined in [16, Def. 2] satisfies E¯(Φj)=0 for each jN. The fact that Φj is injective a.e. for each jN lets us conclude ( [16, Th. 2]) that Φ is injective a.e.

The following fundamental existence theorem in nonlinear elasticity will be used throughout. Its proof is the sum of deep and fundamental results in Analysis that are indicated below.

Theorem 3.4

Assume that W:Ω0×R+N×N[0,] satisfies the following conditions:

  1. W is L×B-measurable, where L denotes the Lebesgue σ-algebra in Ω0, and B stands for the Borel σ-algebra in RN×N.

  2. W(X,·) is polyconvex for a.e. XΩ0.

  3. There exist exponents pN-1 and qNN-1 with p>1, and a constant c>0 such that
    W(X,F)cFp+cofFq-1c,for a.e.XΩ0and allFR+N×N.
  4. W(X,F) as detF0, for a.e. XΩ0.

Assume that Γ0D is an (N-1)-rectifiable subset of Ω of positive (N-1)-dimensional measure and that Φ¯:Γ0DRN is measurable. Let fL2(Ω0,RN) and s0L2(Γ0N,RN).

Let the functional

I(Φ):=Ω0W(X,Φ(X))dX-Ω0f·ΦdX-Γ0Ns0·Φdσ(X).

be defined in U. Assume that U and that I is not identically infinity in U. Then there exists a minimiser of I in U.

Proof

The treatment of the linear terms (2.6) and (2.7) is standard (e.g., [19, Sect. 7] or [17, Ch. 5]), so we can assume f=0 and s0=0.

Since U and I is not identically infinity in U, there exists a minimising sequence {Φj}jN of I in U. Thus, {I(Φj)}jN is bounded and, by condition (c), we have that {Φj}jN is bounded in Lp and {cofΦj}jN is bounded in Lq. Poincaré’s inequality shows that {Φj}jN is bounded in W1,p. Since p>1, there exist ΦLp and a subsequence (not relabelled) such that ΦjΦ in W1,p. The continuity of traces shows that Φ satisfies the boundary condition. By [21, Lemma 4.1],

cofΦjcofΦinLq(F),anddetΦjdetΦinL1(F)

for any compact FΩ0, as j. By the lower semicontinuity of polyconvex functionals (see, e.g., [25, Th. 5.4]),

FW(X,Φ(X))dXlim infjFW(X,Φj(X))dXlim infjI(Φj).

Since this is true for all compact FΩ0, by monotone convergence, we obtain

I(Φ)lim infjI(Φj).

Now we show that detΦ>0 a.e. Since detΦjdetΦ in L1 and detΦj>0 a.e. for all jN, we have that detΦ0 a.e. Let A be the set of XΩ such that detΦ(X)=0. We have that detΦj0 a.e. in A. If |A|>0, by Fatou’s lemma and (d),

lim infjAW(X,Φj(X))dXlim infjI(Φj),

which is a contradiction. Therefore, |A|=0 and detΦ>0 a.e. By Proposition 3.3, Φ is injective a.e. Therefore, ΦU, and it is a minimiser of I in U.

Note that the integrability assumptions on f and s0 can be weakened; see, e.g., [19, Sect. 7] or [17, Ch. 5].

In the following result we show how the properties of W0 are transferred to WG.

Lemma 3.5

Let W0:R+N×N[0,] satisfy conditions (W1)–(W3) of Sect. 2.3. Let G:Ω0R+N×N be measurable. Then:

  1. WG is L×B-measurable.

  2. WG(X,·) is polyconvex for all XΩ0.

  3. Let KR+N×N be compact. Then there exists c1>0 (depending on K but not on G) such that for any GL(Ω0,K),
    WG(X,F)c1Fp+cofFq-1c1,for a.e.\ XΩ0and allFR+N×N.
  4. WG(X,F) as detF0, for a.e. XΩ0.

Proof

We start by proving (a). As G is measurable, there exists a Borel function G¯:Ω0R+N×N such that G¯=G a.e. Then the function XG¯(X)-1 is Borel in Ω0 and the function (X,F)FG¯(X)-1 is Borel in Ω0×R+N×N. As W0:R+N×NR{} is polyconvex, it is locally Lipschitz in the open set {FR+N×N:W0(F)<} (see, e.g., [20, Th. 5.3(iv)]), hence Borel in R+N×N. Thus, the function (X,F)W0(FG¯(X)-1) is Borel in Ω0×R+N×N, and so is the function (X,F)W0(FG¯(X)-1)detG¯(X). Therefore, the function (X,F)W0(FG(X)-1)detG(X) is L×B-measurable.

Now we show (b). By definition of polyconvexity, there exists a convex function

e:RN×N×RN×N×(0,)R{}

such that (2.11) holds, so

WG(X,F)=eFG(X)-1,cofFcofG(X)-1,detFdetG(X)-1detG(X).

Fix XΩ0. Since e is convex, so is the function e¯:RN×N×RN×N×(0,)R{} given by

e¯(F,H,J):=eFG(X)-1,HcofG(X)-1,JdetG(X)-1detG(X),

as a composition of a linear map with a convex function. Therefore, the function WG(X,·) is polyconvex.

As for (c), by Lemma 3.1 and using elementary properties of the algebra of square matrices, for a.e. XΩ0,

FG(X)-1G(X)-1FGL-1F,cofFG(X)-1cofG(X)-1cofFcofGL-1cofF.

Therefore, there exists c>0 such that

FG(X)-1pcFp,cofFG(X)-1qccofFq,FR+N×N,

which implies (c).

Property (d) is immediate.

The existence of minimisers of (2.8) for each given, feasible G is now a straightforward consequence of Theorem 3.4 and Lemma 3.5.

Theorem 3.6

Let W0:R+N×N[0,] satisfy conditions (W1)–(W3) of Sect. 2.3. Let KR+N×N be compact and GL(Ω0,K). Assume that Γ0D is an (N-1)-rectifiable subset of Ω of positive (N-1)-dimensional measure and that Φ¯:Γ0DRN is measurable. Let fL2(Ω0,RN) and s0L2(Γ0N,RN). Assume that U and that ΠG is not identically infinity in U. Then there exists a minimiser of ΠG in U.

An important issue, which we overlook here, is the potential non-uniqueness of minimiser Φ for given G. A much more delicate analysis would be required to deal with potential bifurcation problems as the tensor G moves in the iterative, approximation procedure implemented in Sect. 5 seeking an optimal G. However, if one sticks to a selected continuous branch of solutions, one would end up with an optimal tensor G. We have to report no difficulties here in the numerical approximations performed.

Existence of Optimal G

The lower semicontinuity of the function ρH, as given by (2.9), was shown in [8]. Although the framework here is somewhat different, the same proof is valid. For the convenience of the reader, we state in a precise way the result inside the proof of [8, Th. 4.2] that will be used in Theorem 3.9 below.

Proposition 3.7

Let {Φj}jN be a sequence in W1,p(Ω0,RN) such that

cofΦjLNN-1(Ω0,RN×N),detΦj>0a.e.,

and Φj is injective a.e., for each jN. Assume that there exists ΦW1,p(Ω0,RN), with detΦ>0 a.e., such that

ΦjΦa.e.,detΦjdetΦinL1(Ω0),supjNcofΦjL1(Ω0,RN×N)<.

Then

ρHΦ(Ω),Ωtargetlim infjρHΦj(Ω),Ωtarget.

The following result is an easy consequence of (W4).

Lemma 3.8

Let W0:R+N×NR{} satisfy condition (W4) of Sect. 2.3. Let KR+N×N be compact. Let fL2(Ω0,RN) and s0L2(Γ0N,RN). Let ΦU. If ΠG(Φ)< for some GL(Ω,K) then ΠG(Φ)< for all GL(Ω,K).

Proof

Let GL(Ω,K), FR+N×N and XΩ0. Condition (W4) and the fact GL(Ω,K) imply that

WG(X,F)=W0(FG(X)-1)detG(X)C1+W0(F), 3.3

for some constant C>0. Similarly,

W0(F)c11+W0(FG(X)-1))=c11+WG(X,F)detGc21+WG(X,F),

for some constants c1,c2>0. The conclusion readily follows.

Our main result is concerned with the existence of an optimal G.

Theorem 3.9

Let W0:R+N×N[0,] satisfy conditions (W1)–(W4) of Sect. 2.3. Let KR+N×N be compact. Let fL2(Ω0,RN) and s0L2(Γ0N,RN). Let ϕ:Ω0×RN×N[0,] satisfy:

  1. ϕ is L×B-measurable.

  2. ϕ(X,·) is lower semicontinuous for a.e. XΩ0.

Assume that U. Let α>0. Define

J(G)=ρHΩG,Ωtarget+Ω0αG(X)2+ϕ(X,G(X))dX

in

A={GH1Ω0;Kis the gradient of an a.e.\ injective map,ΠGis notidentically infinity inU,ΩG=ΦΩ0,withΦa minimiser ofΠGinU}.

Assume that A and that J is not identically infinity in A. Then there exists a minimiser of J in A.

Proof

We will rely on the Direct Method of Calculus of Variations. Let {Gj}jN be a minimising sequence of J in A. The coercivity of J with respect to G and the fact that {Gj}jN is bounded in L implies that {Gj}jN is bounded in H1(Ω0,RN×N). Thus, we can extract a subsequence (not relabelled) such that GjG in H1 and GjG in L2 and a.e., for some GH1. Since K is closed, we see that G(X)K for a.e. XΩ0. Thanks to (b), for a.e. XΩ0,

ϕ(X,G(X))lim infjϕ(X,Gj(X)),

and so, by Fatou’s lemma,

Ω0ϕ(X,G(X))dXlim infjΩ0ϕ(X,Gj(X))dX.

By the weak convergence in H1,

Ω0G(X)2dXlim infjΩ0Gj(X)2dX.

In addition, we ought to check that GA.

Let us check that G is the gradient of an a.e. injective map. To this aim, we use that for each jN we have Gj=Φgj for some Sobolev map Φgj:Ω0RN that is injective a.e. Without loss of generality, we can assume that

Ω0Φgj=0.

As GjH1, we have that ΦgjH2. By the Poincaré–Wirtinger inequality,

ΦgjL2CGjL2.

Therefore, the sequence {Φgj}jN is bounded in H2, so we can extract a subsequence weakly convergent in H2 to some ΦgH2. Moreover, we can assume that the convergence ΦgjΦg also holds a.e. As GjG in H1, we have that G=Φg. Let us see that Φg is injective. For this, we can apply Proposition 3.3, according to which it is enough to show that

ΦgjW1,N-1,cofΦgjLNN-1,supjNcofΦgjL1<,ΦgjΦga.e.,detΦgj>0,detΦgjdetΦginL1,

with detΦg>0 a.e. Those conditions are satisfied because of the convergence ΦgjΦg in H2 and the Sobolev embeddings. Indeed, ΦgjW1,N-1 because the embedding H2W1,N-1 is valid for N4. In fact, H2W1,N for N4, so ΦgjLN and cofΦgjLNN-1. Likewise, for some constants ci>0,

cofΦgjL1c1cofΦgjLNN-1c2ΦgjLNN-1c3ΦgjH2N-1,

so supjNcofΦgjL1<. Convergence ΦgjΦga.e. was shown earlier. Now, detΦgjm for some m>0, since GjK a.e. On the other hand, for N3 the compact embedding H2W1,r holds for 1r<6, so ΦgjΦg in Lr and, hence, detΦgjdetΦg in Ls for all s<2. This implies the last condition since detΦgm.

Another main step should focus on the first contribution to the cost given in terms of the Hausdorff distance ρHΩG,Ωtarget, as well as the minimising relationship between Φ and G in (2.10) and (2.8). To treat this step, it is mandatory to work with the minimiser ΦjU of (2.8) corresponding to Gj, for each jN.

Take Φ~U such that ΠG(Φ~)<. By minimality,

Ω0WGj(X,Φj)dXΩ0WGj(X,Φ~)dX. 3.4

By Lemma 3.5(c),

Ω0WGj(X,Φj)dXC1Ω0Φjp+cofΦjqdX-1C1 3.5

for some C1>0. On the other hand, using (3.3), we find that

WGj(X,Φ~(X))C21+W0(Φ~(X)) 3.6

for some C2>0. This inequality, together with (3.4) and (3.5) shows that {Φj}jN is bounded in Lp and {cofΦj}jN is bounded in Lq.

As in the proof of Theorem 3.4, we obtain the existence of a ΦU such that ΦjΦ in W1,p, together with

ΦjΦa.e.,cofΦjcofΦinLq(Ω0),detΦjdetΦinL1(Ω0).

By Lemma 3.2,

Ω0WG(X,Φ)dXlim infjΩ0WGj(X,Φj)dX. 3.7

On the other hand, using dominated convergence, bound (3.6) and Lemma 3.8, we find that

limjΩ0WGj(X,Φ~)dX=Ω0WG(X,Φ~)dX. 3.8

Putting together (3.4), (3.7) and (3.8) we conclude that

Ω0WG(X,Φ)dXΩ0WG(X,Φ~)dX,

and the arbitrariness of Φ~ in U implies that Φ is a minimiser of (2.8) in U for our limit G.

The final ingredient is provided by Proposition 3.7. Indeed, its assumptions have already been checked, so

ρHΩG,Ωtargetlim infjρHΩGj,Ωtarget.

Altogether, we see that

J(G)lim infjJ(Gj),

and the proof is finished.

Remark 3.10

The same conclusion of Theorem 3.9 holds if we replace the term G(X) with the term G^(X); see (2.16) and note that l>0 is given. In this case the new functional is

J(G)=ρHΩG,Ωtarget+Ω0αG^(X)2+ϕ(X,G(X))dX.

We explain the only steps of the proof that differ from that of Theorem 3.9. Let {Gj}jN be a minimising sequence of J in A. Then {Gj}jN is bounded in L2(Ω), so there exists GL2(Ω0) such that, for a subsequence, GjG in L2(Ω). Let G^jH2(Ω0) be the solution of (2.16) with right-hand side Gj, and G^H2(Ω0) the solution with right-hand side G. By standard elliptic regularity theory (see, e.g., [26, Prop. 9.26]), G^jG^ in H2(Ω0), and, hence, G^jG^ in H1(Ω0). From here, the rest of the proof is identical to that of Theorem 3.9.

The Theory of Morphoelasticity

Our main source in this section is the book [12]. The basic principle of morphoelasticity postulates a multiplicative decomposition of the deformation gradient in the form

F(X)=A(X)G(X). 4.1

This decomposition replaces (2.3), the main difference being that there is no intermediate mappings Φg and Φe to account for growth and elastic deformation, respectively: tensors A and G are not associated with any deformation. “The growth tensor G takes the initial configuration to a virtual stress-free state that may be incompatible. Then, a local elastic tensor A restores compatibility of the body and enforces the boundary conditions and body forces so that the body is in a compatible configuration in mechanical equilibrium” ([12, p. 355]). Yet, the elastic constitutive law is formulated through an internal energy density W=W(A) that depends only on the elastic deformation tensor A=FG-1, i.e., (2.4) and (2.5) are still valid, with F=Φ. The rest of Sect. 2.1 is also valid word by word.

The idea of a decomposition of the form (4.1) in Mechanics can be traced back to the mid of the last century and first appeared in the contexts of anelasticity, placticity, dislocations, thermoelasticity and, more recently, biomechanics and growth mechanics. A survey of the history of this decomposition can be found in [27]. In fact, the recent papers [28, 29] explore when “virtual, incompatible” state actually exists as a global intermediate configuration.

Since our preceding analysis does not rely in any way on the fact that growth tensor G comes from a gradient, i.e., is globally compatible, all of our previous results and discussions are correct in this new setting as well. In particular, the shape programming problem is formally the same as (2.10):

Minimise inG:JG:=ρHΩG,Ωtarget+CGsubject to:GH1Ω0;K,ΩG=ΦΩ0,withΦUa minimiser of(2.8). 4.2

Notice that the only difference with the gradient case is the non-occurrence of the constraint that G must be the gradient of an a.e. injective Sobolev map, so the proof of the existence result in this case would be shorter and less technical than that of Theorem 3.9. For record purposes, we state the main existence theorem in this setting.

Theorem 4.1

Let W0:R+N×N[0,] satisfy conditions (W1)–(W4) of Sect. 2.3. Let KR+N×N be compact. Let fL2(Ω0,RN) and s0L2(Γ0N,RN). Let ϕ:Ω0×RN×N[0,] satisfy:

  1. ϕ is L×B-measurable.

  2. ϕ(X,·) is lower semicontinuous for a.e. XΩ0.

Assume that U. Let α>0. Define

J(G)=ρHΩG,Ωtarget+Ω0αG(X)2+ϕ(X,G(X))dX

in

A={GH1Ω0;K:ΠGis not identically infinity inU,ΩG=ΦΩ0,withΦa minimiser ofΠGinU}.

Assume that A and that J is not identically infinity in A. Then there exists a minimiser of J in A.

Remark 4.2

According to (2.16) and Remarks 3.10, the same conclusion of Theorem holds if we replace the term G(X) with the term G^(X) for a given l>0. In other words, the same result holds for the functional

J(G)=ρHΩG,Ωtarget+Ω0αG^(X)2+ϕ(X,G(X))dX.

We anticipated in Sect. 2.4 that by isotropy one can work with Cg=GTG, instead of G as the main variable. In Sects. 2 and 3 we opted for G so as not to deal with the constraint that Cg is a metric tensor, but in the context of this section, the theory of morphoelasticity only requires that Cg is a field of positive definite symmetric matrices. Let us see why isotropy allows working with Cg. Recall from Sect. 2.1 that the stored energy function of the material is W0 and that, once the growth takes place, the total energy of the deformation is given by the integral (2.4), where the new stored-energy function is WG given by (2.5). Now, if a growth tensor G1 changes to G2=RG1 for some RSO(N), then, using (2.5) and the isotropy of W0, we find that

WG2(X,F)=W0(FG1(X)-1R-1)detRG1(X)=WG1(X,F).

Thus, by polar decomposition, the dependence of WG on G is only through Cg. Likewise, the cost functional C should be isotropic (as well as frame-indifferent). The required conditions for that were written in [13, Sect. 2(a)]. In the particular case of functionals of the form

Ω0αCg(X)2+ϕ(X,Cg(X))dX

(as in Theorem 4.3 below), the condition for ϕ is

ϕ(X,C)=ϕ(X,RCRT) 4.3

for a.e. XΩ0, all symmetric definite positive CRN×N and all RSO(N).

Since this is the framework of the numerical experiments in the next section, we present the programming problem in the language of (4.2):

Minimise inCg:JCg:=ρHΩG,Ωtarget+CCgsubject to:CgH1Ω0;K,ΩG=ΦΩ0, withG=Cg12andΦUa minimiser of(2.8). 4.4

In this case, CCg can take the form (2.14), (2.15) or the general form given in the following theorem, which we present without proof.

Theorem 4.3

Let W0:R+N×N[0,] be isotropic and satisfy conditions (W1)–(W4) of Sect. 2.3. Let K be a compact subset of symmetric positive definite N×N matrices. Let fL2(Ω0,RN) and s0L2(Γ0N,RN). Let ϕ:Ω0×RN×N[0,] satisfy (a)–(b) of Theorem 4.1 as well as (4.3). For each Cg, let G be its symmetric positive definite square root. Assume that U. Let α>0. Define

J(Cg)=ρHΩG,Ωtarget+Ω0αCg(X)2+ϕ(X,Cg(X))dX

in

A={CgH1Ω0;K:ΠGis not identically infinity inU,ΩG=ΦΩ0,withΦa minimiser ofΠGinU}.

Assume that A and that J is not identically infinity in A. Then there exists a minimiser of J in A.

In the above theorem we have taken G as the only symmetric positive definite square root of Cg, but, as explained earlier, any square root of Cg gives rise to the same problem. Indeed, ΠG1=ΠG2 if G2=RG1 for some RSO(N).

Numerical Simulation

This section presents the numerical simulations of the shape-programmig problem analyzed in the previous sections, all done in dimension N=3. As noticed in [13] and explained in Sect. 4, under the presence of isotropy it is more convenient to implement numerically the growth-driven actuation by means of the right Cauchy–Green strain tensor Cg=GTG. Indeed, this choice of the control variable introduces less nonlinearity into the formulation of the problem, which facilitates its numerical approximation. Moreover, in this section we use the theory of morphoelasticity, so it is not relevant in practise whether or not the growth tensor is a deformation gradient. All in all, this section addresses the numerical resolution of the shape-programming problem (4.4).

The layout of this section is as follows. In Sect. 5.1, after parametrising Cg in terms of its eigenvalues and eigenvectors, we find an equivalent formulation of (4.2), which is more amenable to computing the gradients that are required in gradient-based optimisation algorithms. We also present the numerical scheme. In Sect. 5.2 we perform several numerical experiments. A set of experiments deals with an initial geometry resembling a beam and another set resembling a shell. For these experiments it is enough to control the eigenvalues of the tensor Cg, while keeping the eigenvectors fixed. In the final example we show that, when the initial configuration is a cube and the final configuration is a cylinder, it is necessary to consider both eigenvalues and eigenvectors as design variables to achieve a satisfactory match between the final and the target configurations.

To accomodate the notation to that widely used in Computational Mechanics, from now on in this section, we denote by H=cofF and by J=detF.

Numerical Resolution Method

Parametrisation of the Growth Tensor

Consider the following version of the Mooney–Rivlin density energy presented in (2.13):

W0(F)=μ12||F||2+μ22||H||2-(μ1+2μ2)logJ+λ2(J-1)2.

This energy is isotropic, so it is valid to work with Cg instead of G. The actuated energy density ψ(F,Cg), equivalent to WG in (2.5), adopts the expression

ψ(F,Cg)=μ12detCg-1/2trFTFcofCg+μ22detCg-1/2trHTHCg-μ1+2μ2detCg1/2log(JdetCg-1/2)+λ2detCg1/2(JdetCg-1/2-1)2. 5.1

The eigenvalue decomposition of Cg is given by

Cg=VΛVT,Λ=λ1000λ2000λ3,

where the ortonormal eigenvectors are encapsulated in the columns of V, i.e., V=v1v2v3, whilst Λ encodes the eigenvalues {λ1,λ2,λ3} of Cg. Thus, Cg is rewritten as

Cg=i=13λivivi. 5.2

Positive definiteness of Cg entails positivity of the eigenvalues λ1,λ2,λ3. Moreover, in some applications one may wish to impose incompressibility in Cg, which is modelled by condition detCg=1 and is equivalent to a restriction only on Λ, namely, detΛ=1. This can be accomplished, for instance, by parametrising Λ as

Λ=λ1000λ20001λ1λ2,

although we have not included any experiment in this context.

It remains to define the eigenvectors {v1,v2,v3}. A possibility for that is to define the matrix V by using the Rodrigues formula, according to which V is parametrised in terms of a unitary vector kR3, and a rotation angle θ3[0,2π[ around k as

V=V(k,θ3)=I-sinθ3K+1-cosθ3KK;K=E:k, 5.3

where E is the third-order alternating tensor (or Levi–Civita tensor), and k is defined through a spherical parametrisation as

k=cosθ1sinθ2,sinθ1sinθ2,cosθ2T;θ1[0,2π[;θ2[0,π[. 5.4

introducing the above parametrisation (5.4) into (5.3) yields

v1=(cosθ3-1)cos2θ2+sin2θ2sin2θ1+1cosθ2sinθ3-cosθ1sin2θ2sinθ1(cosθ3-1)sinθ2sinθ3sinθ1-cosθ2cosθ1(cosθ3-1),v2=-cosθ2sinθ3-cosθ1sin2θ2sinθ1(cosθ3-1)(cosθ3-1)cos2θ2+cos2θ1sin2θ2+1sinθ2sinθ3cosθ1-cosθ2sinθ1(cosθ3-1),v3=sinθ2sinθ3sinθ1-cosθ2cosθ1(cosθ3-1)-sinθ2sinθ3cosθ1+cosθ2sinθ1(cosθ3-1)(cosθ3-1)sin2θ2sin2θ1+cos2θ1sin2θ2+1. 5.5

An Equivalent Formulation of the Optimisation Problem

This new set of design variables, λ={λ1,λ2,λ3} and θ={θ1,θ2,θ3}, allows us to consider the new optimisation problem

graphic file with name 245_2024_10117_Equ34_HTML.gif 5.6

where, in analogy to (2.16), the fields

λ^(λ)={λ^1(λ1),λ^2(λ2),λ^3(λ3)}andθ^(θ)={θ^1(θ1),θ^2(θ2),θ^3(θ3)}

are regularised versions of λ and θ, respectively. More precisely, for 1i3, the functions λ^i(X) and θ^i(X) are in H1(Ω0)

and are the solutions of the boundary value problems

λ^i-l2Δλ^i=λi,inΩ0,λ^i·N=0,onΩ0,θ^i-l2Δθ^i=θi,inΩ0,θ^i·N=0,onΩ0, 5.7

where l is a length-scale parameter and N is the normal to Ω0.

Note that in (5.6) we have not included the compexity functional C described in Sect. 2.4, although it can easily be incorporated. In any case, problem (5.6) fits in the theory of Theorem 4.3, just by putting ϕ=0, while the regularisation term based on the L2 norm of Cg is replaced by the regularisations λ^ and θ^.

In addition, to account for the complexity of the actuation, we impose lower and upper pointwise bounds on λi, namely λilbλiλiub, 1i3, rather than an L2-norm constraint. Indeed, those pointwise contraints are more effectively handled by constrained optimisation methods as they prevent from tuning the weighting parameters that appear in the complexity functional. Similarly, the angles θi are confined in suitable predefined intervals. Due to the maximum principle, the regularised variables λ^i and θ^i satisfy the same bounds.

We present the existence result for (5.6).

Proposition 5.1

Let Fλ(0,)3 and FθR3 be non-empty compact and convex sets. Then there exists a solution for Problem (5.6) under the bounds λFλ and θFθ.

Proof

Let {λj,θj}jN be a minimizing sequence. As Fλ and Fθ are compact, the sequence {λj,θj}jN is bounded in L(Ω0) and, hence, in Lq(Ω0) for all q<. Therefore, there exists λ,θLq(Ω0) such that, for a subsequence, λj,θjλ,θ in Lq(Ω0). As Fλ and Fθ are compact and convex, we get that λFλ and θFθ. Let λ^j,θ^j be the solution of the corresponding problems (5.7) for right-hand side λj,θj, and analogously for λ^,θ^. By elliptic regularity theory, λ^j,θ^jλ^,θ^ in W2,q(Ω0) and, hence, λ^j,θ^jλ^,θ^ in W1,q(Ω0). For i=1,2,3, let v^ij be the vectors (5.5) corresponding to the angles θ^j, and analogously for v^i. Choosing q>3, we can apply the result [30, Th. 3.1] on composition operators to conclude that v^ijv^i in W1,q(Ω0). The same result also implies v^ijv^ijv^iv^i in W1,q(Ω0) and λ^ijv^ijv^ijλ^iv^iv^i in W1,q(Ω0), where λ^ij are the components of λ^j and analogously for λ^i. By (5.2), Cgλ^j,θ^jCgλ^,θ^ in W1,q(Ω0). The rest of the proof is identical to that of Theorems 3.94.1 and 4.3.

Computation of Continuous Gradients

As is customary in gradient-based optimisation, in order to compute a descent direction, we use the standard Lagrangian method [31]. To this end, let us consider the Lagrangian L defined as

L(Φ¯,p¯,λ¯,θ¯)=J(Φ¯)-Ω0PΦ¯,λ¯,θ¯:p¯dX, 5.8

which is defined for (Φ¯,p¯,λ¯,θ¯)H1(Ω0;R3)×H01(Ω0;R3)×H1(Ω0;R3)×H1(Ω0;R3) and Φ¯ satisfying the boundary condition in Γ0D. For the strain energy in (5.1), the first Piola–Kirchhoff stress tensor P=Fψ is

P(F,Cg(λ,θ))=μ1detCg-1/2FcofCg+μ2detCg-1/2(HCg×F)+(-μ1+2μ2detCg1/2J+λ(JdetCg-1/2-1))H, 5.9

where (A×B)iI=EijkEIJKAjJBkK, for A, BR3×3, and EIJK represents the components of the third-order alternating tensor. Notice that (Φ¯,p¯,λ¯,θ¯) are considered as independent variables in (5.8). The stationary condition of L (5.8) with respect to p¯

p¯L(Φ¯,p¯,λ¯,θ¯)(v)=0,for allvH1Ω0,R3withv=0onΓ0D, 5.10

yields indeed the stationary point of the functional ΠG in (2.8), namely the weak form of the traslational equilibrium, since

p¯L(Φ¯,p¯,λ¯,θ¯)(v)=-Φ¯Π(Φ¯,p¯,λ¯,θ¯)(v)=Ω0P(Φ¯,λ¯,θ¯):vdX. 5.11

Equation (5.10) with expression (5.11) is nonlinear. A consistent linearisation of (5.11) has been carried out by means of the standard Newton–Raphson method in order to obtain the deformed configuration x=Φ(X). Similarly, the stationary condition of the Lagrangian L with respect to Φ¯ yields

Φ¯L(Φ¯,p¯,λ¯,θ¯)(v)=Φ¯J(Φ¯)(v)-Ω0v:C(Φ¯,λ¯,θ¯):p¯dX=0, 5.12

where C represents the fourth order elasticity tensor, defined as

C(F)=FF2ψ,

which takes the form

FF2ψ=FF2W+F×HH2W×F+JJ2WHH+I×HW+JWF

being

FF2WiIjJ=μ1δijcofCgIJ,HH2WiIjJ=μ2δijCgIJ,JJ2W=μ1+2μ2detCg1/2J2+λdetCg-1/2,JW=-μ1+2μ2detCg1/2J+λ(JdetCg-1/2-1),HW=μ2detCg-1/2HCg,

and

A×AiIjJ=AiIpPAqQEjpqEJPQ,A×AiIjJ=EipqEIPQApPAqQjJ,AAiIjJ=AiIAjJ,IiIjJ=δiIδjJ,

for AR3×3 and AR3×3×3×3. From the linear equation in (5.12) it is therefore possible to obtain the adjoint state p.

The directional derivative of the Lagrangian L with respect to the design variables {λ1,λ2,λ3} and {θ1,θ2,θ3} yields

λ¯iL(Φ¯,p¯,λ¯,θ¯)(δλi)=-Ω0λ¯iP(Φ¯,λ¯,θ¯)(δλi):p¯dX,θ¯iL(Φ¯,p¯,λ¯,θ¯)(δθi)=-Ω0θ¯iP(Φ¯,λ¯,θ¯)(δθi):p¯dX,

which, for the specific expression for P in (5.9), takes the following form

λ¯iP(Φ¯,λ¯,θ¯)(δλi):p¯=:vi·Tvi,θ¯iP(Φ¯,λ¯,θ¯)(δθi):p¯=:j=13θivj·T+TTvj,

where the second order tensor T is defined as

T=-μ12(detCg)-3/2trFcofCgTpcofCg+μ1(detCg)-1/2(Cg×FTp)-μ22(detCg)-3/2trHCgTF×pcofCg+μ2(detCg)-1/2HT(F×p)-tr(HTp)(μ1+2μ22J(detCg)1/2+λJ2(detCg)3/2)cofCg. 5.13

Numerical Scheme

In order to clarify how the different equations featured in the current section have been embedded into a gradient algorithm, we summarise the steps involved in the optimisation.

Starting from an initial guess (λ0,θ0), we proceed with the loop:

  • (i)

    Solve the state equation (5.10) with expression (5.11), which yields the new deformation mapping Φ and the new deformed configuration Ω.

  • (ii)

    Based on the new deformation mapping Φ, compute the adjoint state field p by means of (5.12).

  • (iii)

    Compute the objective function J(Φ(λ,θ)).

  • (iv)

    Compute descent directions for each of the design variables, namely λ¯iL and θ¯iL, 1i3.

  • (v)

    Pass J(Φ(λ,θ)), λ¯iL and θ¯iL, 1i3, to the gradient algorithm in order to determine the step size and hence, the new value of the design variables (λ1,λ2,λ3) and (θ1,θ2,θ3).

Remark 5.2

Although the lower bound conditions λi>0 ensuring the positive definiteness of the tensor Cg have not been explicitly included in the Lagrangian L in (5.8), any standard gradient-based algorithm such as the interior-point, can easily handle this type of constraint, by augmenting the Lagrangian L in (5.8) by means of the method of Lagrange multipliers. Evaluation of this additional term and of its derivatives with respect to the design variables (λ1,λ2,λ3) is therefore omitted in the derivations included in this section. In fact, as mentioned in Sect. 5.1.2, pointwise bounds on λi and θi, 1i3, have been included in the optimisation method.

Numerical Experiments

The objective of this section is to demonstrate the applicability of the proposed formulation in the context of shape morphing, i.e., determining the value of the optimal design variables {λ1,λ2,λ3} and {θ1,θ2,θ3} following a gradient-based approach with the aim of attaining the closest growth-driven configuration to a given target configuration. As indicated in the introduction, one of the objectives of this paper is to present an alternative formulation to other analytical approaches that make use of simplifying assumptions such as the absence of boundary conditions, which permit to obtain a closed-form solution of the optimal growth tensor [32, 33]. We do not intend to claim that our formulation is more advantageous than others. On the contrary, as in other areas of continuum mechanics, analytical solutions can be extremely useful. Our purpose is to illustrate the possibility to apply inverse techniques for the optimal solution of this problem, which can address more generic situations than those covered by analytical approaches.

With regard to the constitutive model used, we consider the strain energy given by (5.1). In all the examples, the values of {μ1,μ2,λ} are

μ1=0.5,μ2=0.5,λ=3.

In the first two examples (Sects. 5.2.1 and 5.2.2), we will advocate for a widely accepted formulation in engineering, according to which the eigenvectors {v1,v2,v3} of Cg (see equation (5.2)) remain fixed, while only the eigenvalues {λ1,λ2,λ3} serve as the unknown fields to be determined analytically [32, 33]. Although this approach is less flexible compared to the more comprehensive formulation discussed in Sect. 5.1, it has exhibited reasonably positive outcomes in terms of achieving the target configuration. Typically, the eigenvectors of Cg are considered coincident with the tangent vectors associated with the curvilinear coordinate system that describes the geometry of the initial solid configuration.

However, in the final example of Sect. 5.2.3, we will illustrate a scenario where incorporating additionally the eigenvectors as design variables (specifically, the three angular fields {θ1,θ2,θ3} in equation (5.5)) allows for a higher degree of flexibility. This enhanced formulation enables a significantly better approximation to the target configuration.

In all the examples, the upper and lower bounds used for the eigenvalues λi (i={1,2,3}) (see (5.6)) are

λilb=0.01;λiub=12.

With respect to the upper and lower bounds used for {θ1,θ2,θ3} (see (5.6)), these are

θ1lb=0;θ2lb=0;θ3lb=0;θ1ub=2π;θ2ub=π;θ3ub=2π.

We have chosen these bounds since in the performed experiments, it is not expected that rotations of more than one loop take place, but of course the above bounds can be expanded if the geometry of the problem suggests so.

Beam-Like Applications

The first examples consider applications where the geometry of the undeformed domain Ω0 resembles that of a beam. In particular, we consider the rectangular section beam in Fig. 2a and the beam with circular cross-section in Fig. 2b. For both cases, the eigenvectors {v1,v2,v3} featuring in the definition of Cg in (5.2) are defined as

v1=1,0,0Tv2=0,1,0Tv3=0,0,1T

for the case in Fig. 2a and

v1=1,0,0Tv2=0,-sinθ,cosθTv3=0,cosθ,sinθT

for the case in Fig. 2b. In both cases, the boundary conditions are such that the displacements in X1=0 are 0 in the three directions {E1,E2,E3} of the configuration {X1,X2,X3}. Three target configurations, Ωtarget=ΦdΩ0, have been prescribed:

  • (i)
    Shape morphing configuration 1: rectangular cross-section beam with target configuration given by
    Φd(X)=X1,X2,X3+0.15Lsin2πX1LT. 5.14
  • (ii)
    Shape morphing configuration 2: rectangular cross-section beam with target configuration given by
    Φd(X)=L2πsin2πX1L,X2,-L2πcos2πX1LT. 5.15
  • (iii)
    Shape morphing configuration 3: circular cross-section beam with target configuration given by
    Φd(X)=-(Rf+cosθ)rcos2πX1Lf+πL4(Rf+cosθ)rsin2πX1Lf+πL4-6rsinθ+X1LfL+2, 5.16
    with Rf=6 and Lf=4, and with (r,θ) given by
    r=X22+X32,tanθ=X3X2.
Fig. 2.

Fig. 2

Geometry, finite element mesh and vectors {v1,v2,v3} parametrising the growth tensor Cg. a Rectangular section beam, with {L,b,t}={1,1/10,1/50}. b Circular section beam with {L,R,t}={30,1,1/20}. In both cases, t is the thickness of the beam

For the case of the rectangular cross-section beam in Fig. 2a, the final configurations attained at convergence are depicted in Fig. 3, corresponding with the optimal solutions that yield the closest growth-driven configurations to the target configurations denoted as shape morphing configurations 1 and 2. In addition, Fig. 4 depicts the evolution of the cost function for the case of the shape morphing configuration 1. The interior-point algorithm has been used as the optimization method.

Fig. 3.

Fig. 3

Representation of the computed optimal deformation Φ (indistinguishable from the target configuration) and the contour plot distribution of λ^1Φ-1(x), for the beam with rectangular section in Fig. 2a for target configurations: a equation (5.14); b equation (5.15). The translucid configuration represents the undeformed configuration Ω0

Fig. 4.

Fig. 4

Evolution of the objective function with the number of iterations for the target configuration given in Eq. (5.14)

With regard to the circular cross-section beam in Fig. 2b, with target configuration given in Eq. (5.16), the final growth-driven configuration is displayed in Fig. 5, along with the contour plot distribution of the three design variables {λ^1,λ^2,λ^3}. The tight agreement with respect to the target configuration initially prescribed in Eq. (5.16) is shown in Fig. 5d.

Fig. 5.

Fig. 5

Representation of the computed optimal deformation Φ and contour plot distribution of a λ^1Φ-1(x), b λ^2Φ-1(x) and c λ^3Φ-1(x) for the example with initial configuration depicted in Fig. 2. The translucid geometry represents the initial configuration. d Agreement between the target configuration (grey colour) and the deformed solid subjected to the optimal growth tensor (red) (Color figure online)

Shell-Type Applications

Next, we consider the two undeformed configurations given in Fig. 6a and the beam with circular cross-section in Fig. 6b. For both cases, the eigenvectors {v1,v2,v3} are defined as

v1=cosθ,sinθ,0Tv2=-sinθ,cosθ,0Tv3=0,0,1T.

In both cases, the boundary conditions are such that the displacements vanish in X3 and r=R1 (for Fig. 6a) and r=R (for Fig. 6b) in the three directions {E1,E2,E3} of the configuration {X1,X2,X3}. Two target configurations, Ωtarget=ΦdΩ0, have been prescribed:

  • (i)
    Shape morphing configuration 4: initial geometry given in Fig. 6a with target configuration given by
    Φd(X)=rcosθ,rsinθ,58(r-R1)+X3T.
  • (ii)
    Shape morphing configuration 5: initial geometry given in Fig. 6b with target configuration given by
    Φd(X)=(X3+1)cosθ,(X3+1)sinθ,6-18(7-2(X3+1))2-238T,
    with
    r=X12+X22,tanθ=X2X1
    in both configurations.
Fig. 6.

Fig. 6

Geometry, finite element mesh and vectors {v1,v2,v3} parametrising the growth tensor Cg. a Disk with {R1,R2,t}={0.2,1,0.8/50}. b Cylinder with {L,R,t}={0.7,1,1/20}

For the case of the initial geometry in Fig. 6a, the final configuration attained can be observed in Fig. 7, corresponding with the optimal solutions that yield the closest growth driven configurations to the target configuration denoted as shape morphing configuration 4. It is worth empashising how the optimal solution is capable of, starting with a flat disk geometry, inducing a deformation of the continuum into the final conical shape illustrated in this figure. From Fig. 7d, the almost perfect match between the growth-driven and target configurations can be observed.

Fig. 7.

Fig. 7

Representation of the computed optimal deformation Φ and contour plot distribution of a λ^1, b λ^2 and c λ^3 for the example with initial configuration depicted in Fig. 6a. The translucid geometry represents the initial configuration. d Agreement between the target configuration (grey meshed domain) and the deformed solid subjected to the optimal growth tensor (red) (Color figure online)

Finally, for the case of the initial geometry in Fig. 6b, the final configuration attained can be observed in Fig. 8. In this case, attaining the target configuration entails a considerable enlargement of the initial geometry along the X3 direction, in addition to a bending in the X1 and X2 directions, yielding the conical shape illustrated in this figure. Figure 8d shows the almost perfect match between the growth-driven and target configurations can be observed.

Fig. 8.

Fig. 8

Representation of the computed optimal deformation Φ and contour plot distribution of a λ^1, b λ^2 and c λ^3 for the example with initial configuration depicted in Fig. 6b. The grey domain represents the initial configuration. d Agreement between the target configuration (grey meshed domain) and the deformed solid subjected to the optimal growth tensor (red) (Color figure online)

Cube to Cylinder Geometry

The objective of this example is to evidence what was anticipated in the introductory part of Sect. 5.2. Specifically, although the examples shown in Sects. 5.2.1 and 5.2.2 have demonstrated that including only eigenvalues as design variables whilst maintaining the eigenvectors fixed throughout the optimisation process can yield extremely good results, this might not be the case for any predefined target configuration. In order to illustrate that, we consider now the initial and target configurations shown in Fig. 9. The problem requires a transformation from a cube into a cylinder, although the pictures are represented in 2D.

Fig. 9.

Fig. 9

Undeformed configuration (red), representing a square of side 4. The circular geometry represents the target configuration, with diameter 12 (Color figure online)

We solved the problem using two formulations:

  • The first formulation involved exclusively the eigenvalues {λ1,λ2,λ3} as design variables, whilst holding the eigenvectors fixed throughout the optimisation to v1=1,0,0T, v2=0,1,0T and v3=0,0,1T.

  • The second formulation considered both {λ1,λ2,λ3} and {θ1,θ2,θ3} as design variables, the latter used to parametrise the eigenvectors {v1,v2,v3} according to (5.5).

Figure 10 includes the results yielded by both formulations. As expected, the deformed configuration resulting from the second formulation (including both {λ1,λ2,λ3} and {θ1,θ2,θ3} as design variables) yields a significantly better approximation to the unattainable circular target configuration. This is corroborated by the values of the objective function ρH attained by both formulations in the last optimisation iteration, when numerical convergence was observed. Specifically, the ratio between the values yielded by both formulations were

ρHΩCgλ^,ΩtargetρHΩCgλ^,θ^,Ωtarget=13.8889,

where the value in the numerator refers to the first formulation (only λ1,λ2,λ3 as design variables).

Fig. 10.

Fig. 10

a Deformed configuration for the optimal solution yielded by formulation including only {λ1,λ2,λ3} as design variables whilst fixing v1=1,0,0T, v2=0,1,0T and v3=0,0,1T; b Deformed configuration for the optimal solution obtained by the formulation that includes both {λ1,λ2,λ3} and {θ1,θ2,θ3} as design variables

Finally, Fig. 11 illustrates the optimal solution obtained for the eigenvectors v1(θ1,θ2,θ3) and v2(θ1,θ2,θ3). This figure demonstrates the necessity to modify spatially these eigenvectors in order to yield the observed higher flexibility.

Fig. 11.

Fig. 11

Deformed configuration in the optimal solution obtained by formulation including eigenvalues {λ1,λ2,λ3} and angular fields {θ1,θ2,θ3} parametrising the eigenvectors. a Representation of the eigenvector v1, where the colour of the vector is associated with the magnitude of λ1; b Representation of the eigenvector v2, where the colour of the vector is associated with the magnitude of λ2

Funding

Open Access funding provided thanks to the CRUE-CSIC agreement with Springer Nature. R. Ortigosa-Martínez, J. Martínez-Frutos and F. Periago have been supported by Grant PID2022-141957OA-C22 funded by MCIN/AEI/10.13039/501100011033, by RDF A way of making Europe, and by the Autonomous Community of the Región of Murcia, Spain, through the programme for the development of scientific and technical research by competitive groups (21996/PI/22), included in the Regional Program for the Promotion of Scientific and Technical Research of Fundación Séneca – Agencia de Ciencia y Tecnología de la Región de Murcia. C. Mora-Corral has been supported by the Agencia Estatal de Investigación of the Spanish Ministry of Research and Innovation, through project PID2021-124195NB-C32 and the Severo Ochoa Programme for Centres of Excellence in R &D CEX2019-000904-S, by the Madrid Government (Comunidad de Madrid, Spain) under the multiannual Agreement with UAM in the line for the Excellence of the University Research Staff in the context of the V PRICIT (Regional Programme of Research and Technological Innovation), and by the ERC Advanced Grant 834728. P. Pedregal has been supported by Grants PID2020-116207GB-I00 and SBPLY/19/180501/000110.

Declarations

Conflict of interest

There is no conflict of interest to declare.

Footnotes

Publisher's Note

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