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用于具有晶格失配的薄晶体片中面外变形的表面相场晶体-赫尔弗里希模型

Surface Phase-Field-Crystal-Helfrich model for out-of-plane deformations in thin crystalline sheets with lattice mismatch

Emma Radice, Ingo Nitschke, Marco Salvalaglio, Axel Voigt

arXiv 2607.12997首次发表:更新:

AI 中文总结

研究薄晶体片面外变形特性,通过扩展表面相场晶体-赫尔弗里希模型开发多尺度描述,能体现晶格失配,经与经典方程预测验证后,展示局部压缩应力驱动面外变形的情况。

AI 中文摘要

薄的柔性晶体片由于能够进行面外变形而表现出独特的弹性特性。理解这种行为需要一种描述,该描述要考虑平面内弹性、面外变形及其耦合,并考虑晶体结构及其缺陷。我们通过扩展表面相场晶体-赫尔弗里希模型,为这些系统开发了一种多尺度描述。该扩展允许空间变化的平衡晶格间距,能够表示局部晶格本征应变以模拟异质结构中的晶格失配。我们针对经典的Föppl-von Kármán方程对单轴压缩的解析预测以及埃舍尔比夹杂问题对扩展模型进行了验证。然后,使用这个经过验证的框架,我们展示了局部诱导的压缩应力如何驱动片中的面外变形。

英文摘要

Thin, flexible crystalline sheets exhibit unique elastic properties due to their ability to undergo out-of-plane deformations. Understanding this behavior requires a description that couples in-plane elasticity, out-of-plane deformation, and their coupling, taking the crystalline structure and its defects into account. We develop a multiscale description for these systems by extending the surface Phase-Field-Crystal-Helfrich model. The extension permits a spatially varying equilibrium lattice spacing, enabling the representation of localized lattice eigenstrain to mimic lattice mismatch in heterostructures. We validate the extended model against analytical predictions from classical Föppl-von Kármán equations for uniaxial compression and from Eshelby's inclusion problem. Using this validated framework, we then show how locally induced compressive stresses drive out-of-plane deformation in the sheets.

Comments7 pages, 5 figures

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