Data for "The Impact of Tilt Grain Boundaries on the Thermal Transport in Perovskite SrTiO3 Layered Nanostructures. A Computational Study"

Datasets for computer simulations of tilt grain boundaries in SrTiO3, used for lattice dynamics and molecular dynamics calculations. These calculations were used in the paper, "The Impact of Tilt Grain Boundaries on the Thermal Transport in Perovskite SrTiO3 Layered Nanostructures: A Computational Study," to demonstrate how nanoscale structural features may be identified that can facilitate thermal transport in technologically important nanostructured materials such as SrTiO3.

用于计算机模拟 SrTiO3 中倾斜晶界的数据集，适用于晶格动力学和分子动力学计算。这些计算被应用于论文《倾斜晶界对钙钛矿 SrTiO3 分层纳米结构中热传输影响的研究：一项计算研究》中，旨在展示如何识别出可促进技术重要纳米结构材料（如 SrTiO3）中热传输的纳米级结构特征。