Innovative surfaces via lattice engineering are crucial challenges and critical to enhance the mechanical and functional properties of advanced materials. Here, a universal linear scaling rule in terms of key property parameters (KPPs) is proposed to estimate the modifications of local lattice strain (LLS) caused by the surface, in which the bulk modulus (), the ratio, and the bond energy are utilized to describe the KPPs of the BCC and FCC, the isotropic HCP, and the polarized ABO-type Pyrochlore, individually. The modified broken-bond model by the Hook's law is addressed to predict the elastic-energy-corrected surface energy efficiently and precisely, which is capable to deal with the complex of geometry, chemistry, charge states of clean surface and are verified and validated in 28 metals and ceramics. While the LLS of metals is caused by the improved bond length, the ceramics one is yielded by the reduced one of polarized surface.

中文翻译：

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胡克定律标度的表面能断键模型：从金属到陶瓷

通过晶格工程实现的创新表面是关键挑战，对于增强先进材料的机械和功能特性至关重要。这里，提出了一种根据关键属性参数（KPP）的通用线性缩放规则来估计由表面引起的局部晶格应变（LLS）的修改，其中体积模量（）、比率和键能为用于分别描述 BCC 和 FCC、各向同性 HCP 和极化 ABO 型烧绿石的 KPP。根据胡克定律修正的断键模型可以有效、精确地预测弹性能校正的表面能，能够处理清洁表面复杂的几何、化学、电荷状态，并在28 金属和陶瓷。金属的LLS是由于键长的提高而引起的，而陶瓷的LLS则是由于极化表面的减少而产生的。