日時 ： ２００９年１１月１３日（金）※16：30～
場所 ： 愛媛大学総合研究棟Ⅰ 4F 共通会議室（理学部構内）
要 旨
The information about thermal conductivities is important for understanding heat transport near the Earth's surface and in the core-mantle boundary where thermal convection does not occur, and it might be a key to accurately determine the thermal structure of the Earth's interior. It is very difficult to directly measure the thermal conductivities by experimental approaches because of the size problem of the experimental cell. Thus, it is crucial to study the thermal conductivities by first-principles simulations. For the estimation of the thermal conductivity, we have to calculate phonon velocity, specific heat capacity and phonon lifetime. The velocity and the specific heat capacity are estimated only by harmonic approximation. On the other hand, to obtain the phonon lifetime, anharmonic approximation is required. In this study, I developed the code to calculate the phonon lifetime and estimate the thermal conductivity and applied it to silicon. I will talk about the details of its calculation method and the results in this seminar.
問い合わせ先：土屋 卓久 TEL （089）927-8198
E-mail takut@sci.ehime-u.ac.jp
