Beyond the Classical Cauchy–Born Rule

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2023-11-07 DOI:10.1007/s00205-023-01942-0
Andrea Braides, Andrea Causin, Margherita Solci, Lev Truskinovsky
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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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超越经典柯西-伯恩法则
涉及非凸能量的物理动机变分问题通常在离散设置中表述,并包含边界条件。这些问题中的远程相互作用,加上晶格离散性所施加的约束,即使在一维环境中也会产生几何挫折现象。虽然非凸性导致微观结构的形成,但在不同尺度上运行的相互作用之间的不相容性会产生非平凡的混合效应,而在最佳微观结构与底层晶格尺度之间不可通约性的情况下,这种混合效应会加剧。揭示非凸性、非局部性和离散性之间潜在相互作用的复杂性是本研究的主要目标。虽然一般来说,人们不能期望这类问题中的基态具有全局特性,例如周期性,但在某些情况下,适当定义的“全局”解存在,并且足以描述相应的连续统(均匀化)极限。我们将这些情况解释为符合广义Cauchy-Born (GCB)规则,并提出了一类新的几何挫折问题,该问题在一个(加载)参数范围内符合GCB规则,而在一个互补范围内严格超出该类。提出了解决这种“混合”行为问题的一般方法。
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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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