Author:
Wang Fu,Zhou Yi,Gao Shi-Xin,Duan Zhen-Gang,Sun Zhi-Peng,Wang Jun,Zou Yu,Fu Bao-Qin, ,
Abstract
Silicon carbide (SiC) has been widely used in nuclear technology due to its excellent properties. In the irradiation environment, the energetic incident particles can cause the atoms in the material to deviate from the position of the crystal lattice, thereby producing the vacancies, interstitial atoms, anti-site atoms and other point defects. These defects will change the thermal properties of the material and degrade the service performance of the material. Therefore, in this work the equilibrium molecular dynamics method (Green-Kubo method) is used to study the effect of point defects on the heat transfer properties of cubic SiC (<i>β</i>-SiC or 3<i>C</i>-SiC) with the help of the Tersoff-type potential. The point defects considered include Si interstitial atoms (Si<sub>I</sub>), Si vacancies (Si<sub>V</sub>), Si anti-site atoms (Si<sub>C</sub>), C interstitial atoms (C<sub>I</sub>), C vacancies (C<sub>V</sub>) and C anti-site atoms (C<sub>Si</sub>). It is found that the thermal conductivity (<i>λ</i>) decreases with the increase of the point defect concentration (<i>c</i>). The excessive thermal resistance (Δ<i>R</i> = <i>R</i><sub>defect </sub>– <i>R</i><sub>perfect</sub>, <i>R</i> = 1/<i>λ</i>, <i>R</i><sub>defect</sub> is the thermal resistance of the defective material, and <i>R</i><sub>perfect</sub> is the thermal resistivity of the material without defects) has a linear relation with the concentration of point defects in the considered range (0.2%–1.6%), and its slope is the thermal resistivity coefficient. It can be found that the thermal resistivity coefficient of vacancy and interstitial atoms are higher than that of anti-site atoms; the thermal resistivity coefficient of point defects at high temperature is higher than at low temperature; the thermal resistivity coefficient of Si vacancies and Si interstitial atoms are higher than that of C vacancies and C interstitial atoms. These results are helpful in predicting the thermal conductivity of silicon carbide under irradiation and controlling the thermal conductivity of silicon carbide.
Publisher
Acta Physica Sinica, Chinese Physical Society and Institute of Physics, Chinese Academy of Sciences
Subject
General Physics and Astronomy
Reference34 articles.
1. Kawamura T, Hori D, Kangawa Y, Kakimoto K, Yoshimura M, Mori Y 2008 Jpn. J. Appl. Phys. 47 8898
2. Čížek J, Kalivodová J, Janeček M, Stráský J, Srba O, Macková A 2021 Metals 11 76
3. Katoh Y, Snead L L 2019 J. Nucl. Mater. 526 151849
4. Pei H, Yao W Z, Lü J M, Zhang X D 2018 J. Mater. Eng. 46 19
何培, 姚伟志, 吕建明, 张向东 2018 材料工程 46 19
5. Gai Z G, Luo C T, Chen T, Zhang P 2010 Vac. Cryog. 16 1
盖志刚, 罗崇泰, 陈焘, 张平 2010 真空与低温 16 1
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