摘要
基于硅色散关系的实验值,给出硅晶体导热系数的经典分子动力学模拟所必需的温度、导热系数的量子化修正曲线。应用平衡态分子动力学算法模拟了硅晶体在 300～700 K温度区间内的导热系数,模拟结果表明,理想硅晶体的导热系数比自然硅高60％～75％,但随着温度的下降,模拟结果的准确性下降。
The temperature-dependent thermal conductivity of silicon crystal is calculated using
equilibrium molecular-dynamics simulation in the temperature range 300～700 K. Quantum correc-
tions are introduced in the simulation process to modify the simulation temperature and the thermal
conductivity. The results show that the thermal conductivity of silicon crystal is about 60～75 per-
cent higher than that of natural silicon, and the precision of the simulation results decreases with the
decrease of temperature.
出处
《工程热物理学报》
EI
CAS
CSCD
北大核心
2004年第3期454-456,共3页
Journal of Engineering Thermophysics
基金
国家自然科学基金(No.50276011
No.50275026)
关键词
导热系数
分子动力学
晶体硅
thermal conductivity
molecular dynamics
crystal silicon
