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Molecular Dynamics Study of the Nucleation of Bubble

Tokumasu, Takashi and Kamijo, Kenjiro and Oike, Mamoru and Matsumoto, Yoichiro (2001) Molecular Dynamics Study of the Nucleation of Bubble. In: CAV 2001: Fourth International Symposium on Cavitation, June 20-23, 2001, California Institute of Technology, Pasadena, CA USA. (Unpublished) http://resolver.caltech.edu/CAV2001:sessionA1.005

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Abstract

In this paper the effect of internal degrees of freedom on the limit of metastability is analyzed by the Molecular Dynamics (MD) method. Oxygen is assumed as the liquid and oxygen molecules are assumed as both monatomic and diatomic molecules. The Lennard{Jones (LJ) potential is used as the intermolecular potential for monatomic molecules and 2 Center Lennard{Jones (2CLJ) potential is used as the intermolecular potential for diatomic molecules. These parameters are determined so that the averaged potentials of the respective molecules are consistent with each other. Simulations are performed at various states and an Equation of State (EOS) of each liquid is obtained. The spinodal lines obtained from the respective EOSs are compared with each other and the effect of molecular orientation in diatomic liquid on the thermodynamic limit of metastability is investigated. Moreover, the kinetic limit of metastability is also investigated and the difference between the monatomic and diatomic liquid oxygen is analyzed.


Item Type:Conference or Workshop Item (Lecture)
Record Number:CAV2001:sessionA1.005
Persistent URL:http://resolver.caltech.edu/CAV2001:sessionA1.005
Usage Policy:The papers of this symposium proceedings are protected by copyright, retained by the authors. Authors control translation and reproduction rights to these works. However, readers are granted permission for individual, educational, research and non-commercial reproduction, distribution, display and performance of this work in any format. This permission is in addition to rights of reproduction granted under Section 107, 108, and other provisions of the U.S. Copyright Act.
ID Code:131
Collection:CaltechCONF
Deposited By: Imported from CAV2001
Deposited On:05 Jun 2001
Last Modified:26 Dec 2012 07:09

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