Hori Takuma
Department of Mechanical Systems Engineering, Tokyo University of Agriculture and Technology, Koganei, Tokyo, Japan.
Sci Rep. 2021 Nov 22;11(1):22648. doi: 10.1038/s41598-021-01855-6.
The method to optimize nanostructures of silicon thin films as thermoelectric materials is developed. The simulated annealing method is utilized for predicting the optimized structure. The mean free path and thermal conductivity of thin films, which are the objective function of optimization, is evaluated by using phonon transport simulations and lattice dynamics calculations. In small systems composed of square lattices, the simulated annealing method successfully predicts optimized structure corroborated by an exhaustive search. This fact indicates that the simulated annealing method is an effective tool for optimizing nanostructured thin films as thermoelectric materials.
开发了优化作为热电材料的硅薄膜纳米结构的方法。利用模拟退火方法预测优化结构。通过声子输运模拟和晶格动力学计算来评估作为优化目标函数的薄膜的平均自由程和热导率。在由正方形晶格组成的小系统中，模拟退火方法成功预测了经穷举搜索证实的优化结构。这一事实表明，模拟退火方法是优化作为热电材料的纳米结构薄膜的有效工具。
