Abstract
Physically motivated variational problems involving non-convex energies are often formulated in a discrete setting and contain boundary conditions. The long-range interactions in such problems, combined with constraints imposed by lattice discreteness, can give rise to the phenomenon of geometric frustration even in a one-dimensional setting. While non-convexity entails the formation of microstructures, incompatibility between interactions operating at different scales can produce nontrivial mixing effects which are exacerbated in the case of incommensurability between the optimal microstructures and the scale of the underlying lattice. Unraveling the intricacies of the underlying interplay between non-convexity, non-locality and discreteness represents the main goal of this study. While in general one cannot expect that ground states in such problems possess global properties, such as periodicity, in some cases the appropriately defined ‘global’ solutions exist, and are sufficient to describe the corresponding continuum (homogenized) limits. We interpret those cases as complying with a Generalized Cauchy–Born (GCB) rule, and present a new class of problems with geometrical frustration which comply with GCB rule in one range of (loading) parameters while being strictly outside this class in a complimentary range. A general approach to problems with such ‘mixed’ behavior is developed.
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Acknowledgements
AC and MS acknowledge the projects ‘Fondo di Ateneo per la Ricerca 2019’ and ‘Fondo di Ateneo per la Ricerca 2020’, funded by the University of Sassari. This work has been supported by PRIN 2017 ‘Variational methods for stationary and evolution problems with singularities and interfaces’. AB and MS are members of GNAMPA, INdAM, AC is member of GNSAGA, INdAM. The authors acknowledge the MIUR Excellence Department Project awarded to the Department of Mathematics, University of Rome Tor Vergata, CUP E83C18000100006. The work of LT was supported by the Grant ANR-10-IDEX-0001-02 PSL.
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Appendices
Appendix: Variations of Boundary Data
In this appendix we state and prove some technical results which allow the modification of boundary values of test functions for the minimum problems used in various characterization of \(Q_{\textbf{m}} f\). In particular, these results allow to assume that test functions be constant close to the endpoints of the domain.
Let \({\textbf{m}}=\{m_n\}_n\) be such that \(m_n\ge 0\) for any n, and there exists \({\overline{n}}\) such that \(m_n\) is not increasing for \(n\ge {\overline{n}}\). Moreover, we assume the decay condition \(m_n=o(n^{-\beta })_{n\rightarrow +\infty }\) for some \(\beta >2\).
Let \(F_\varepsilon \) be defined as in (2.8); that is,
for I interval and \(u\in {\mathcal {A}}_\varepsilon (I)\).
Lemma A.1
Let \(L>0\) and \(N_\varepsilon =\lfloor \frac{L}{\varepsilon }\rfloor \). Let \(\alpha \in (\frac{2}{\beta },1)\). Assume that \(u\in L^2(0,L)\) and \(u^\varepsilon \in {\mathcal {A}}_\varepsilon ={\mathcal {A}}_\varepsilon (0,L)\) be such that (the piecewise-affine extension of) the sequence \(u^\varepsilon \) converges to u in \(L^2(0,L)\), and \(\sup _\varepsilon (F_\varepsilon (u^\varepsilon ;[0,L])+\Vert u^\varepsilon \Vert ^2_{L^2})=S<+\infty \). Then, there exists \({\hat{u}}^{\varepsilon }\in {\mathcal {A}}_\varepsilon \) converging to u such that
-
(i)
\({\hat{u}}^\varepsilon _i={\hat{u}}^\varepsilon _0\) for \(i\leqq \varepsilon ^{-\alpha }\), \({\hat{u}}^\varepsilon _i={\hat{u}}^\varepsilon _{N_\varepsilon }\) for \(i\ge N_\varepsilon -\varepsilon ^{-\alpha }\);
-
(ii)
\(F_\varepsilon ({\hat{u}}^\varepsilon ;[0,L])\leqq F_\varepsilon (u^\varepsilon ;[0,L])+r(\varepsilon )\), where the remainder r depends only on S and f(0), and \(r(\varepsilon )\rightarrow 0\) as \(\varepsilon \rightarrow 0\).
Proof
We choose \(\alpha ^\prime \in (0,1-\alpha )\) and define \(\lambda _\varepsilon =\varepsilon ^{\alpha ^\prime }\) and \(M_\varepsilon =\lfloor \varepsilon ^{\alpha +\alpha ^\prime -1}\rfloor -1\). For \(\varepsilon \) small enough we divide \((0,\lambda _\varepsilon ]\) and \([L-\lambda _\varepsilon ,L)\) in \(M_\varepsilon +1\) intervals by setting
Since
then there exists \(k_\varepsilon ^-\in \{1,\dots , M_\varepsilon \}\) such that
The same argument allows to find \(k_\varepsilon ^+\in \{1,\dots , M_\varepsilon \}\) such that the same inequality holds for \(\varepsilon i\in J_\varepsilon ^{k_\varepsilon ^+}, \varepsilon j\in J_\varepsilon ^{k_\varepsilon ^+-1}\). Setting \(j^-_\varepsilon =\min \{j: \varepsilon j\in I_\varepsilon ^{k_\varepsilon ^-}\}\) and \(j^+_\varepsilon =\max \{j: \varepsilon j\in J_\varepsilon ^{k_\varepsilon ^+}\}\), we define \({\hat{u}}^{\varepsilon }\) by setting
Since \(j_\varepsilon ^{-}\ge L\varepsilon ^{-\alpha }\) and \(j_\varepsilon ^{+}\leqq N_\varepsilon -L\varepsilon ^{-\alpha }\), then \({\hat{u}}^\varepsilon \) satisfies claim (i). Moreover, \({\hat{u}}^\varepsilon \rightarrow u\) as \(\varepsilon \rightarrow 0\). To prove this, for simplicity we suppose that \(m_n\) is not increasing for \(n\ge 1\). Then,
and correspondingly \(\varepsilon \sum _{i=j^+_\varepsilon }^{\lfloor L/\varepsilon \rfloor }(u^\varepsilon _i-{\hat{u}}^\varepsilon _{i})^2\leqq \frac{S}{m_1}\lambda _\varepsilon ^2\). Setting, \(n_\varepsilon =\lfloor \frac{\lambda _\varepsilon }{\varepsilon (M_\varepsilon +1)}\rfloor \), since
and recalling (A.1), we obtain
where C denotes a constant depending only on \(\sup _\varepsilon F_\varepsilon (u^\varepsilon ;[0,L])\) and \(\sup _\varepsilon \Vert u^\varepsilon \Vert _{L^2}\). Setting
we conclude the proof since \(m_n=o(n^{-\beta })\) and \(\alpha >\frac{2}{\beta }\). \(\quad \square \)
Let \(a,b>0\). We define the functional \(E_\varepsilon (u,v;I)\) by setting
for I interval and \(u,v\in {\mathcal {A}}_\varepsilon (I)\).
Lemma A.2
Let \(L>0\) and \(N_\varepsilon =\lfloor \frac{L}{\varepsilon }\rfloor \). Let \(\alpha \in (\frac{2}{\beta },1)\). Assume that \(u^\varepsilon , v^\varepsilon \in {\mathcal {A}}_\varepsilon \) be such that (the piecewise-affine extensions of) \(u^\varepsilon \) and \(v^\varepsilon \) converge to u in \(L^2(0,L)\) and \(\sup _\varepsilon (E_\varepsilon (u^\varepsilon ;[0,L])+\Vert u^\varepsilon \Vert ^2_{L^2})=S<+\infty \). Then there exist \({\hat{u}}^{\varepsilon }, {\hat{v}}^\varepsilon \in {\mathcal {A}}_\varepsilon \) converging to u such that
-
(i)
\({\hat{u}}^\varepsilon _i={\hat{v}}^\varepsilon _i={\hat{u}}^\varepsilon _0\) for \(i\leqq \varepsilon ^{-\alpha }\), \({\hat{u}}^\varepsilon _i={\hat{v}}^\varepsilon _i={\hat{u}}^\varepsilon _{N_\varepsilon }\) for \(i\ge N_\varepsilon -\varepsilon ^{-\alpha }\);
-
(ii)
\(E_\varepsilon ({\hat{u}}^\varepsilon , {\hat{v}}^\varepsilon ;[0,L])\leqq E_\varepsilon (u^\varepsilon , v^\varepsilon ;[0,L])+r(\varepsilon )\), where the remainder r depends only on S and f(0), and \(r(\varepsilon )\rightarrow 0\) as \(\varepsilon \rightarrow 0\).
Proof
We choose \(\lambda _\varepsilon \) and \(M_\varepsilon \) as in the proof of Lemma A.1, and divide \((0,\lambda _\varepsilon ]\) and \([L-\lambda _\varepsilon ,L)\) in \(M_\varepsilon +1\) intervals, denoted by \(I^k_\varepsilon \) and \(J^k_\varepsilon \) respectively, as above. Then, there exist \(k_\varepsilon \) and \(h_\varepsilon \) in \(\{1,\dots , M_\varepsilon \}\) such that
Setting \(j^-_\varepsilon =\min \{j: \varepsilon j\in I_\varepsilon ^{k_\varepsilon }\}\) and \(j^+_\varepsilon =\max \{j: \varepsilon j\in J_\varepsilon ^{h_\varepsilon }\}\), we define
so that \({\hat{u}}^\varepsilon \) and \({\hat{v}}^\varepsilon \) converge to u in \(L^2\), and satisfy (i). Recalling (A.4), we get in particular that
where C denotes a positive constant depending only on a, b and S. The same bound holds for \(\frac{a}{2\varepsilon }({\hat{v}}^\varepsilon _{j_{\varepsilon }^+}-{\hat{v}}^\varepsilon _{j_{\varepsilon }^+-1})^2\). Hence
concluding the proof as above. \(\quad \square \)
Remark A.3
In the hypotheses of Lemma A.2, if there exists \(\alpha \in (0,1)\) such that \(u^\varepsilon _i={\hat{u}}^\varepsilon _0\) for \(i\leqq \varepsilon ^{-\alpha }\) and \(u^\varepsilon _i={\hat{u}}^\varepsilon _{N_\varepsilon }\) for \(i\ge N_\varepsilon -\varepsilon ^{-\alpha }\) for some \(\alpha >0\), then the function \({\hat{v}}^\varepsilon \) can be chosen such that it coincides with \(u^\varepsilon \) for \(i\leqq \varepsilon ^{-\alpha ^{\prime \prime }}\) and for \(i\ge N_\varepsilon -\varepsilon ^{-\alpha ^{\prime \prime }}\) with \(\alpha ^{\prime \prime }<\alpha \).
Appendix: Formulas for \(P^{M,n}\) in the Concentrated Case
In this appendix we include some explicit computations of the functions \(P^{M,n}\) defined in (3.1), which are the energies of the locking states \(n\over M\) in the concentrated case. The formulas of these functions have been used in Sections 4.2.1 and 4.2.2 to highlight the structure of \(Q_{\textbf{m}}f(z)\) in the truncated-parabolic and double-well case, respectively. Here, we include the corresponding computations.
Truncated-parabolic case. Let f be given by (4.10). In view of (4.3), the domains of \(P^{M,0}\) and \(P^{M,M}\) are \(\{z\leqq 1\}\) and \(\{z\ge 1\}\), respectively. We recall that here
For \(n=1,\dots , M-1\), we can also write
where
Note that while the formula defining \(P^{M,n}\) changes form at \(z=T_n^{-}\) and \(z=T_n^{+}\), the computation of the common tangent points of \(P^{M,n}\) and \(P^{M,n+1}\) involves only the central formula in (B.1). Consequently, the points \(s_n^+\) and \(s_n^-\) in Theorem 4.1 are
In Fig. 32 we illustrate the envelope of two consecutive functions \(P^{M,n}(z)\), bridging energies of consecutive locking states with an affine function.
Finally, since \(s_n^+\ge T_n^-\) and \(s_n^-\leqq T_n^+\), we have the formula
where \(r^{M,n}\) is the affine function
Bi-quadratic double-well case. Let f be given by \(f(z)=(1-|z|)^2\). By using (4.3) the domains of \(P^{M,0}\) and \(P^{M,M}\) are \(\{z\leqq 0\}\) and \(\{z\ge 0\}\), respectively, where
For \(n=1,\dots , M-1\)
where in this case the points \(T_n^-\) and \(T_n^+\) where the formula changes are given by
Consequently,
Since \(s_n^+\ge T_n^-\) and \(s_n^-\leqq T_n^+\), we obtain
where \(r^{M,n}\) is the affine function
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Braides, A., Causin, A., Solci, M. et al. Beyond the Classical Cauchy–Born Rule. Arch Rational Mech Anal 247, 107 (2023). https://doi.org/10.1007/s00205-023-01942-0
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DOI: https://doi.org/10.1007/s00205-023-01942-0