Phonon Transport Simulator (PhonTS)
收藏doi.org2025-03-26 收录
下载链接：
http://doi.org/10.17632/vn5wph88hy.1
下载链接
链接失效反馈官方服务：
资源简介：
This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)
Abstract
Thermal conductivity prediction remains an important subject in many scientific and engineering areas. Only recently has such prediction become possible on the basis of the first principles calculations, thus ensuring high quality results. Implementation of the methodology, however, is technically challenging and requires a lengthy development process. We thus introduce the Phonon Transport Simulator (PhonTS), a Fortran90, fully parallel code to perform such calculations. PhonTS possesses a l...
Title of program: PhonTS
Catalogue Id: AEVO_v1_0
Nature of problem
Computes thermal conductivity in crystal solids from the level of the interatomic interactions.
Versions of this program held in the CPC repository in Mendeley Data
AEVO_v1_0; PhonTS; 10.1016/j.cpc.2015.01.008
AEVO_v1_0; PhonTS; 10.1016/j.cpc.2015.01.008
此程序源自贝尔法斯特女王大学（1969-2018年）所持有的CPC程序库。摘要：热导率预测在众多科学及工程领域内一直是一项至关重要的课题。然而，直至近期，基于第一性原理的计算方法才使得此类预测成为可能，从而确保了结果的卓越品质。然而，该方法的实现技术难度颇高，且需经历漫长的研发过程。因此，我们推出了声子传输模拟器（PhonTS），一款采用Fortran90语言编写的、完全并行化的代码，用以执行此类计算。PhonTS具备一系列特性……
程序名称：PhonTS
目录编号：AEVO_v1_0
问题性质：从原子间相互作用的角度计算晶体固体的热导率。
CPC存储库中Mendeley Data所持有的本程序版本：
AEVO_v1_0; PhonTS; 10.1016/j.cpc.2015.01.008
AEVO_v1_0; PhonTS; 10.1016/j.cpc.2015.01.008
提供机构：
doi.org
