Interfaces play a crucial role in determining the functional and mechanical properties of materials. However, predicting interface properties is not straightforward because the atomic arrangements at the interface are different from those in the bulk. Hence, in this study, we discovered a descriptor from the bulk that helps predict the interface properties without the need to determine the interface structure. The descriptors related to the angle of elevation effectively described the structure units on both the bulk surface and optimized interface. Our model successfully predicted the interface and vacancy segregation energies at silver interfaces without using the interface structure.

中文翻译：

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在不确定界面结构的情况下，预测银界面处的界面和空位偏析能

界面在确定材料的功能和机械性能方面起着至关重要的作用。但是，预测界面属性并不简单，因为界面处的原子排列与本体中的原子排列不同。因此，在这项研究中，我们从大量对象中发现了一个描述符，该描述符可帮助预测接口属性而无需确定接口结构。与仰角有关的描述符有效地描述了体表和优化界面上的结构单元。我们的模型成功地预测了银界面处的界面和空位偏析能，而无需使用界面结构。