4.7 Article

Molecular-dynamics simulation of homogeneous nucleation in the vapor phase

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JOURNAL OF CHEMICAL PHYSICS
卷 115, 期 19, 页码 8913-8920

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AMER INST PHYSICS
DOI: 10.1063/1.1412608

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Ten independent quenches of a gas of 40 000 Lennard-Jones particles are followed until the systems exhibit droplet growth. The cluster distributions and the kinetics are determined for the quenched quasi-equilibrium state, at the onset of nucleation and at droplet growth. All the distributions are isomorphic with the particle distribution in the equilibrium gas state and asymptotically given by simple exponentials. The kinetics show detailed balance of particles and clusters which join and which leave the successful critical nuclei. The systems exhibit chaoticlike behavior with respect to the onset of nucleation, so that only marginal changes in a system will change the onset of nucleation. (C) 2001 American Institute of Physics.

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