Evaluating the relationship between phonon and thermal properties of group IV alloys using molecular dynamics simulation

M. Tomita, M. Ogasawara, T. Terada, T. Watanabe

研究成果: Conference contribution

抄録

This study examines whether mass or potential disorder is more effective at reducing the thermal conductivity and phonon properties in group IV alloys using molecular dynamics (MD) simulation. In this investigation, virtual atoms were used so that the atomic mass and the interatomic potential could be varied independently. The effects of potential disorder on the thermal conductivity and phonon properties are smaller than those associated with mass disorder. The suppression of thermal conductivity by alloying is attributed only to the effects of mass disorder. In the phonon lifetime calculation, the lifetime of the phonon determined by the scattering due to potential disorder is ten times longer than that due to mass disorder. This difference is so large that the contribution of potential disorder to phonon lifetime is effectively negligible. Thus, a binary interatomic potential is unnecessary to accurately estimate the thermal conductivity of the group IV alloys.

本文言語English
ホスト出版物のタイトルECS Transactions
編集者Qizhi Liu, Jean-Michel Hartmann, Aaron Thean, Seiichi Miyazaki, Atsushi Ogura, Xiao Gong, Matty Caymax, Andreas Schulze, G. Mashi, Andreas Mai, Mikael Osting, G. Niu, David Harame
出版社Electrochemical Society Inc.
ページ337-345
ページ数9
7
ISBN(印刷版)9781510871670
DOI
出版ステータスPublished - 2018
イベント8th Symposium on SiGe, Ge, and Related Compounds: Materials, Processing, and Devices - AiMES 2018, ECS and SMEQ Joint International Meeting - Cancun, Mexico
継続期間: 2018 9 302018 10 4

出版物シリーズ

名前ECS Transactions
番号7
86
ISSN(印刷版)1938-6737
ISSN(電子版)1938-5862

Other

Other8th Symposium on SiGe, Ge, and Related Compounds: Materials, Processing, and Devices - AiMES 2018, ECS and SMEQ Joint International Meeting
CountryMexico
CityCancun
Period18/9/3018/10/4

ASJC Scopus subject areas

  • Engineering(all)

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