Molecular Transport through a Bottleneck Driven by External Force(General and Mathamatical Physics)

概要

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The transport phenomena of Lennard-Jones molecules through a structural bottleneck driven by an external force are investigated by molecular dynamics simulations. We observe two distinct molecular flow regimes distinguished by a critical external force F_c and find scaling behaviors between external forces and flow rates. Below the threshold F_c, molecules are essentially stuck in the bottleneck due to the attractive interaction between the molecules, while above F_c, molecules can smoothly move in the pipe. A critical flow rate q_c corresponding to F_c satisfies a simple relationship with angles, and the value of q_c can be estimated from a simple argument. We further clarify the role of the temperature dependence in the molecular flows through the bottleneck.
理論物理学刊行会の論文
2009-12-25