Chin. Phys. B ›› 2013, Vol. 22 ›› Issue (12): 126601-126601.doi: 10.1088/1674-1056/22/12/126601

• CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES • 上一篇    下一篇

Molecular dynamics study of thermal stress and heat propagation in tungsten under thermal shock

付宝勤, 赖文生, 袁悦, 徐海燕, 李纯, 贾玉振, 刘伟   

  1. Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China
  • 收稿日期:2013-01-17 修回日期:2013-05-30 出版日期:2013-10-25 发布日期:2013-10-25
  • 基金资助:
    Project supported by the National Magnetic Confinement Fusion Science Program of China (Grant No. 2013GB109004) and the National Natural Science Foundation of China (Grant Nos. 51071095 and 50971077).

Molecular dynamics study of thermal stress and heat propagation in tungsten under thermal shock

Fu Bao-Qin (付宝勤), Lai Wen-Sheng (赖文生), Yuan Yue (袁悦), Xu Hai-Yan (徐海燕), Li Chun (李纯), Jia Yu-Zhen (贾玉振), Liu Wei (刘伟)   

  1. Key Laboratory of Advanced Materials (MOE), School of Materials Science and Engineering, Tsinghua University, Beijing 100084, China
  • Received:2013-01-17 Revised:2013-05-30 Online:2013-10-25 Published:2013-10-25
  • Contact: Fu Bao-Qin, Liu Wei E-mail:bqfuthu@163.com;liuw@mail.tsinghua.edu.cn
  • Supported by:
    Project supported by the National Magnetic Confinement Fusion Science Program of China (Grant No. 2013GB109004) and the National Natural Science Foundation of China (Grant Nos. 51071095 and 50971077).

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摘要： Using molecular dynamics (MD) simulation, we study the thermal shock behavior of tungsten (W), which has been used for the plasma facing material (PFM) of tokamaks. The thermo-elastic stress wave, corresponding to the collective displacement of atoms, is analyzed with the Lagrangian atomic stress method, of which the reliability is also analyzed. The stress wave velocity corresponds to the speed of sound in the material, which is not dependent on the thermal shock energy. The peak pressure of a normal stress wave increases with the increase of thermal shock energy. We analyze the temperature evolution of the thermal shock region according to the Fourier transformation. It can be seen that the “obvious” velocity of heat propagation is less than the velocity of the stress wave; further, that the thermo-elastic stress wave may contribute little to the transport of kinetic energy. The heat propagation can be described properly by the heat conduction equation. These results may be useful for understanding the process of the thermal shock of tungsten.

关键词: molecular dynamics simulation, thermal shock, thermo-elastic stress, heat propagation, tungsten

Abstract: Using molecular dynamics (MD) simulation, we study the thermal shock behavior of tungsten (W), which has been used for the plasma facing material (PFM) of tokamaks. The thermo-elastic stress wave, corresponding to the collective displacement of atoms, is analyzed with the Lagrangian atomic stress method, of which the reliability is also analyzed. The stress wave velocity corresponds to the speed of sound in the material, which is not dependent on the thermal shock energy. The peak pressure of a normal stress wave increases with the increase of thermal shock energy. We analyze the temperature evolution of the thermal shock region according to the Fourier transformation. It can be seen that the “obvious” velocity of heat propagation is less than the velocity of the stress wave; further, that the thermo-elastic stress wave may contribute little to the transport of kinetic energy. The heat propagation can be described properly by the heat conduction equation. These results may be useful for understanding the process of the thermal shock of tungsten.

Key words: molecular dynamics simulation, thermal shock, thermo-elastic stress, heat propagation, tungsten

中图分类号:  (Nonelectronic thermal conduction and heat-pulse propagation in solids;thermal waves)

  • 66.70.-f
66.10.cd (Thermal diffusion and diffusive energy transport) 66.70.Df (Metals, alloys, and semiconductors)