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Study on Thermal Transport of Argon Nanometer Thin Film with Molecular Dynamics Simulation

Author: TangXiaoJuan
Tutor: LiuXiangLi
School: Harbin Institute of Technology
Course: Materials Processing Engineering
Keywords: Film Thermal conductivity Size effect Femtosecond laser Heat wave effect Molecular dynamics simulation
CLC: TB383.1
Type: Master's thesis
Year: 2009
Downloads: 68
Quote: 0
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Abstract


Thickness in the emerging field of nanoscale thin film as a function of components and structural unit widely used in nanotechnology, microelectronics and optoelectronics technology, the mechanism of heat conduction and thermal characteristics for the thermal design of micro devices and micro-structure, thermal management has an important significance. The thermodynamic properties of nano-film different from the macro material, study difficult to implement due to the sample preparation difficult, complex and expensive devices and other instruments difficult to be measured directly by experimental means. In this paper, molecular dynamics (MD) method to study the FCC structure argon [001] nano-film thermodynamic properties such as thermal conductivity, constant volume specific heat, etc., and explores the rapid heating (femtosecond laser heating) in the medium propagation mechanism. The topics analyzed the heat transfer process of two effects: the scale effect and the heat wave effect. First equilibrium molecular dynamics (EMD) method to simulate the thermal conductivity of argon nano-film. Simulation results show that the x, y, z in three directions of the thermal conductivity with increasing film thickness decreases, there is a significant size effect on the thermal conductivity and the thickness of the z direction by a film thickness greater impact; thermal conductivity with increasing temperature and decreasing trend with the experimental values. Relaxation time of phonons (lattice vibrations) are calculated using three different methods, the analysis of the mechanism of the effect of the size of the thermal conductivity. The heat is spread or spread fluctuations has been an issue of concern, the heat wave phenomenon is also a research hotspot in recent decades. Due to the extremely harsh conditions for the existence of the heat wave (temporal and spatial scales are small), by routine experimentation is difficult to study the molecular dynamics method can easily simulate the heat wave of far from equilibrium. By molecular dynamics simulation can see that the femtosecond laser heating process to produce significant heat wave, heat wave propagation velocity of 1464m / s. The ablation threshold femtosecond laser heating is critical, because the energy flux density in the ablation threshold near the surface of the material processing quality is better. By molecular dynamics simulations, to simulate the different thickness of the thin film material ablation threshold. The results indicate that the ablation threshold of the increase of film thickness increases, when the film thickness is increased to a certain value, the ablation threshold value tends to a fixed value, which is also due to the size effect of the thermal conductivity sake.

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