An efficient Laplace transform-wave packet method hybrid with substructure technique

作者：Gu, Yunfeng^*

来源：Computational Materials Science, 2015, 110: 345-352.

DOI：10.1016/j.commatsci.2015.08.052

• Wave packet method
• Substructure
• Inter-belt model
• Laplace transform
• Phonon transport

By virtue of substructure technique, the wave packet method can be applied to efficiently evaluate the thermal conduction of each phonon mode in the large periodic harmonic lattice. The substructures are connected by the inter-belts due to the long-range interatomic interaction. A parallel dynamic substructure method is presented in the Laplace transform domain, without any approximation in the condensation process. The validity and efficiency of the proposed method is demonstrated by the one-and three-dimensional cases. By launching a wide band wave packet, the whole given phonon branch can be studied by a one-time calculation. Defined as the ratio between square of Fourier transform of the transmitted and incident wave packets, the resulted transmission coefficient agrees with that obtained by the atomistic Green's function method. Moreover the time evolution of the wave field can be given by the method, and the multilevel substructure technique can also be used.

• 出版日期2015-12
• 单位南京林业大学