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| The temperature jump usually results in temperature discontinuity at wall boundary of nanoscale or microscale solid-fluid heat transfer system, which has been studied by using analytical, numerical or molecular dynamics simulation methods. Based on the Verlet algorithm and 3D Langevin equation, a nanoscale solid-liquid heat transfer model which is composed of platinum atoms as solid wall and argon molecules as ultra-thin liquid film was established and the temperature jump at wall boundary was estimated. The investigation revealed that the number density of argon molecules is relatively small at wall boundary but large in the middle of liquid domain. Although the number density of argon molecules near wall boundary is small, but there the temperature is obviously larger than the mean temperature of liquid phase. The results indicate that the velocity of argon molecule near wall boundary is larger than that in middle domain when the liquid temperature is rescaled during simulation process. With the increasing temperature of solid wall, the effective range of vibration of platinum atoms expands, and the ultra-thin liquid film will present very uneven temperature distribution along thickness direction. If the temperature of liquid phase is not rescaled and the liquid film thickness is relatively large, the temperature in most part of the simulation domain is almost constant and a little smaller than the wall temperature, but there exists a large temperature jump at wall boundary. |
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| Keywords:heat transfer theory;temperature jump;molecular dynamics;Verlet algorithm;nanoscale |
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