首页|一种高效求解简谐晶格声子传输系数的算法

一种高效求解简谐晶格声子传输系数的算法

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根据朗之万格林函数理论,求简谐晶格中热流的关键在于求声子传输系数.传统上人们用基于分解三对角矩阵行列式的方法将求传输系数的过程转化为求转移矩阵的乘积从而降低时间复杂度,这种方法被称为转移矩阵法.但转移矩阵法的并行效果不佳且不能用于存在长程相互作用的系统.提出了一种基于解线性方程组的高效算法来求解简谐系统中声子传输系数,提升了计算的并行效率,且使求解存在任意近邻耦合的声子传输系数的时间复杂度降为O(N),为相关领域的研究提供了算法上的帮助.
An Efficient Algorithm for Solving Phonon Transmission Coefficient in Harmonic Lattices
According to the Langevin Green's function theory,the key to calculating heat flux in a harmonic lattices is to calculate the phonon transmission coefficient.Traditionally,people use the method based on decomposing the determinant of the tridiagonal matrix to transform the process of solving the transmission coefficient into solving the product of the transfer matrix to reduce the time complexity,which is called the transfer matrix method.However,the parallel effect of the transfer matrix method is poor and this method cannot be used for systems with long-range interactions.An efficient algorithm based on solving linear equations to calculate the phonon transmission coefficient in harmonic lattices is proposed to improve the parallel efficiency of computation and reduce the time complexity of solving the phonon transmission coefficient with arbitrary neighbor coupling to O(N),providing algorithmic assistance for research in related fields.

heat conductionLangevin green's function theorytransmissionefficient algorithm

魏宇航、贺达海

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厦门大学 物理科学与技术学院,福建 厦门 361005

热传导 朗之万格林函数理论 传输系数 高效算法

2024

曲靖师范学院学报
曲靖师范学院

曲靖师范学院学报

影响因子:0.374
ISSN:1009-8879
年,卷(期):2024.43(3)