Analysis of nucleation using mean first-passage time data from molecular dynamics simulation

We introduce a method for the analysis of nucleation using mean first-passage time (MFPT) statistics obtained by molecular dynamics simulation. The method is based on the Becker-Döring model for the dynamics of a nucleation-mediated phase change and rigorously accounts for the system size dependenc...

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Bibliographic Details
Main Authors: Nicholson, David Andrew (Contributor), Rutledge, Gregory C (Contributor)
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering (Contributor)
Format: Article
Language:English
Published: American Institute of Physics (AIP), 2017-06-07T15:21:08Z.
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